New Database Available - Released on 02/10/2026.
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molecules
Showing 391 to 420 of 763 results
 
Name
Mixture
Reference
Name
CAS
Mixture
CID
InChIKey
SMILES
trans-3-Hexenoic acid 1577-18-0 Monomolecular 5282708 XXHDAWYDNSXJQM-ONEGZZNKSA-N CC/C=C/CC(=O)O
Trimethylamine 75-50-3 Monomolecular 1146 GETQZCLCWQTVFV-UHFFFAOYSA-N CN(C)C
Propylamine 107-10-8 Monomolecular 7852 WGYKZJWCGVVSQN-UHFFFAOYSA-N CCCN
Hexylamine 111-26-2 Monomolecular 8102 BMVXCPBXGZKUPN-UHFFFAOYSA-N CCCCCCN
1-Heptanamine 111-68-2 Monomolecular 8127 WJYIASZWHGOTOU-UHFFFAOYSA-N CCCCCCCN
Octylamine 111-86-4 Monomolecular 8143 IOQPZZOEVPZRBK-UHFFFAOYSA-N CCCCCCCCN
3,5-Dimethylphenol 108-68-9 Monomolecular 7948 TUAMRELNJMMDMT-UHFFFAOYSA-N CC1=CC(=CC(=C1)O)C
2,3-Dimethylphenol 526-75-0 Monomolecular 10687 QWBBPBRQALCEIZ-UHFFFAOYSA-N CC1=C(C(=CC=C1)O)C
Diphenyl Ether 101-84-8 Monomolecular 7583 USIUVYZYUHIAEV-UHFFFAOYSA-N C1=CC=C(C=C1)OC2=CC=CC=C2
Isoprene 78-79-5 Monomolecular 6557 RRHGJUQNOFWUDK-UHFFFAOYSA-N CC(=C)C=C
Ethyl Linoleate 544-35-4 Monomolecular 5282184 FMMOOAYVCKXGMF-MURFETPASA-N CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC
Gamma-Dodecalactone 2305-05-7 Sum of Isomers 16821 WGPCZPLRVAWXPW-UHFFFAOYSA-N CCCCCCCCC1CCC(=O)O1
Dimethyl Phthalate 131-11-3 Monomolecular 8554 NIQCNGHVCWTJSM-UHFFFAOYSA-N COC(=O)C1=CC=CC=C1C(=O)OC
Benzyl formate 104-57-4 Monomolecular 7708 UYWQUFXKFGHYNT-UHFFFAOYSA-N C1=CC=C(C=C1)COC=O
2-Phenylethyl formate 104-62-1 Monomolecular 7711 IKDIJXDZEYHZSD-UHFFFAOYSA-N C1=CC=C(C=C1)CCOC=O
Methyl Myristate 124-10-7 Monomolecular 31284 ZAZKJZBWRNNLDS-UHFFFAOYSA-N CCCCCCCCCCCCCC(=O)OC
Palmitoleic Acid 373-49-9 Monomolecular 445638 SECPZKHBENQXJG-FPLPWBNLSA-N CCCCCC/C=C\CCCCCCCC(=O)O
Phenyl propionate 637-27-4 Monomolecular 12497 DYUMLJSJISTVPV-UHFFFAOYSA-N CCC(=O)OC1=CC=CC=C1
Phenyl isobutyrate 20279-29-2 Monomolecular 519756 PIZOACXKIKXRDJ-UHFFFAOYSA-N CC(C)C(=O)OC1=CC=CC=C1
2-Methyl-2-thiazoline 2346-00-1 Monomolecular 16867 JUIQOABNSLTJSW-UHFFFAOYSA-N CC1=NCCS1
alpha-Hexylcinnamaldehyde 101-86-0 Monomolecular 1550884 GUUHFMWKWLOQMM-NTCAYCPXSA-N CCCCCC/C(=C\C1=CC=CC=C1)/C=O
trans,trans-Farnesyl acetate 4128-17-0 Monomolecular 638500 ZGIGZINMAOQWLX-NCZFFCEISA-N CC(=CCC/C(=C/CC/C(=C/COC(=O)C)/C)/C)C
Chalcogran 38401-84-2 Sum of Isomers 581383 DCWKALWZHORJAO-UHFFFAOYSA-N CCC1CCC2(O1)CCCO2
Toluene 108-88-3 Monomolecular 1140 YXFVVABEGXRONW-UHFFFAOYSA-N CC1=CC=CC=C1
(1S,5S)-6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptan-3-one 19890-00-7 Monomolecular 12314319 TZDMGBLPGZXHJI-JGVFFNPUSA-N CC1([C@H]2C[C@@H]1C(=C)C(=O)C2)C
(4R)-2-Methyl-6-methylene-2,7-octadien-4-ol 60894-97-5 Monomolecular 181296 NHMKYUHMPXBMFI-JTQLQIEISA-N CC(=C[C@@H](CC(=C)C=C)O)C
(1R,5S,7S)-7-ethyl-5-methyl-6,8-dioxabicyclo[3.2.1]octane 22625-19-0 Monomolecular 182344 YONXEBYXWVCXIV-YIZRAAEISA-N CC[C@H]1[C@H]2CCC[C@](O2)(O1)C
Piperitone, L- 4573-50-6 Monomolecular 107561 YSTPAHQEHQSRJD-SECBINFHSA-N CC1=CC(=O)[C@H](CC1)C(C)C
4-Methoxybenzyl alcohol 105-13-5 Monomolecular 7738 MSHFRERJPWKJFX-UHFFFAOYSA-N COC1=CC=C(C=C1)CO
Dibutyl Phthalate 84-74-2 Monomolecular 3026 DOIRQSBPFJWKBE-UHFFFAOYSA-N CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC
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