New Database Available - Released on 29/09/2026.
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molecules
Showing 571 to 600 of 763 results
 
Name
Mixture
Reference
Name
CAS
Mixture
CID
InChIKey
SMILES
Octadecyl acetate 822-23-1 Monomolecular 69968 OIZXRZCQJDXPFO-UHFFFAOYSA-N CCCCCCCCCCCCCCCCCCOC(=O)C
Undecanal 112-44-7 Monomolecular 8186 KMPQYAYAQWNLME-UHFFFAOYSA-N CCCCCCCCCCC=O
8-Undecenal, (8Z)- 147159-49-7 Monomolecular 6436710 DWQXOILNGUCNSH-ARJAWSKDSA-N CC/C=C\CCCCCCC=O
2-Heptenal 2463-63-0 Monomolecular 5283316 NDFKTBCGKNOHPJ-AATRIKPKSA-N CCCC/C=C/C=O
2-Nonenal 2463-53-8 Monomolecular 5283335 BSAIUMLZVGUGKX-BQYQJAHWSA-N CCCCCC/C=C/C=O
5-Methyl-2-hexanone 110-12-3 Monomolecular 8034 FFWSICBKRCICMR-UHFFFAOYSA-N CC(C)CCC(=O)C
2,3-Dimethyl-5-(2-methylpropyl)pyrazine 54410-83-2 Monomolecular 528108 HPAYBTQBMQPWCN-UHFFFAOYSA-N CC1=NC=C(N=C1C)CC(C)C
5-Hexenoic Acid 1577-22-6 Monomolecular 15308 XUDOZULIAWNMIU-UHFFFAOYSA-N C=CCCCC(=O)O
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
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