New Database Available - Released on 29/09/2026.
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molecules
Showing 121 to 150 of 763 results
 
Name
Mixture
Reference
Name
CAS
Mixture
CID
InChIKey
SMILES
1,2,4-Trimethoxybenzene 135-77-3 Monomolecular 67284 AGIQIOSHSMJYJP-UHFFFAOYSA-N COC1=CC(=C(C=C1)OC)OC
1,3-Dimethyluracil 874-14-6 Monomolecular 70122 JSDBKAHWADVXFU-UHFFFAOYSA-N CN1C=CC(=O)N(C1=O)C
1,4-Dimethoxybenzene 150-78-7 Monomolecular 9016 OHBQPCCCRFSCAX-UHFFFAOYSA-N COC1=CC=C(C=C1)OC
1-Acetylcyclohexene 932-66-1 Monomolecular 13612 LTYLUDGDHUEBGX-UHFFFAOYSA-N CC(=O)C1=CCCCC1
n-Butoxy-2-propanol 5131-66-8 Sum of Isomers 21210 RWNUSVWFHDHRCJ-UHFFFAOYSA-N CCCCOCC(C)O
Cetyl Alcohol 36653-82-4 Monomolecular 2682 BXWNKGSJHAJOGX-UHFFFAOYSA-N CCCCCCCCCCCCCCCCO
1-Methylcycloheptan-1-ol 3761-94-2 Monomolecular 77376 XFFKAYOHINCUNU-UHFFFAOYSA-N CC1(CCCCCC1)O
1-Nonanol 143-08-8 Monomolecular 8914 ZWRUINPWMLAQRD-UHFFFAOYSA-N CCCCCCCCCO
1-Octanol 111-87-5 Monomolecular 957 KBPLFHHGFOOTCA-UHFFFAOYSA-N CCCCCCCCO
Pentadecanal 2765-11-9 Monomolecular 17697 XGQJZNCFDLXSIJ-UHFFFAOYSA-N CCCCCCCCCCCCCCC=O
1-Penten-3-Ol 616-25-1 Sum of Isomers 12020 VHVMXWZXFBOANQ-UHFFFAOYSA-N CCC(C=C)O
1-Phenylethanol 98-85-1 Sum of Isomers 7409 WAPNOHKVXSQRPX-UHFFFAOYSA-N CC(C1=CC=CC=C1)O
1-Tetradecanol 112-72-1 Monomolecular 8209 HLZKNKRTKFSKGZ-UHFFFAOYSA-N CCCCCCCCCCCCCCO
2,3-Butanediol 513-85-9 Sum of Isomers 262 OWBTYPJTUOEWEK-UHFFFAOYSA-N CC(C(C)O)O
2,3-Dimethylheptane 3074-71-3 Sum of Isomers 26375 WBRFDUJXCLCKPX-UHFFFAOYSA-N CCCCC(C)C(C)C
Pinanediol, (+)- 18680-27-8 Monomolecular 10219606 MOILFCKRQFQVFS-OORONAJNSA-N C[C@@]1([C@H]2C[C@H](C2(C)C)C[C@H]1O)O
2,4,6-Trimethylpyridine 108-75-8 Monomolecular 7953 BWZVCCNYKMEVEX-UHFFFAOYSA-N CC1=CC(=NC(=C1)C)C
2,4-Dimethoxyphenol 13330-65-9 Monomolecular 593006 MNVMYTVDDOXZLS-UHFFFAOYSA-N COC1=CC(=C(C=C1)O)OC
2,4-Dimethylheptane 2213-23-2 Sum of Isomers 16656 AUKVIBNBLXQNIZ-UHFFFAOYSA-N CCCC(C)CC(C)C
2,5-Dimethylpyrazine 123-32-0 Monomolecular 31252 LCZUOKDVTBMCMX-UHFFFAOYSA-N CC1=CN=C(C=N1)C
2,5-Di-tert-butylbenzoquinone 2460-77-7 Monomolecular 17161 ZZYASVWWDLJXIM-UHFFFAOYSA-N CC(C)(C)C1=CC(=O)C(=CC1=O)C(C)(C)C
2,6-Dimethoxyphenol 91-10-1 Monomolecular 7041 KLIDCXVFHGNTTM-UHFFFAOYSA-N COC1=C(C(=CC=C1)OC)O
2,6-Dimethyl-4-heptanol 108-82-7 Monomolecular 7957 HXQPUEQDBSPXTE-UHFFFAOYSA-N CC(C)CC(CC(C)C)O
2-Acetylcyclopentanone 1670-46-8 Sum of Isomers 98471 OSWDNIFICGLKEE-UHFFFAOYSA-N CC(=O)C1CCCC1=O
2-Butoxyethanol 111-76-2 Monomolecular 8133 POAOYUHQDCAZBD-UHFFFAOYSA-N CCCCOCCO
2-Decenol, (2E)- 18409-18-2 Monomolecular 5364942 QOPYYRPCXHTOQZ-CMDGGOBGSA-N CCCCCCC/C=C/CO
2-Ethyl-1-butanol 97-95-0 Monomolecular 7358 TZYRSLHNPKPEFV-UHFFFAOYSA-N CCC(CC)CO
2-Ethyl-3,5-dimethylpyrazine 13925-07-0 Monomolecular 26334 JZBCTZLGKSYRSF-UHFFFAOYSA-N CCC1=NC=C(N=C1C)C
2-Ethylhexyl Acetate 103-09-3 Sum of Isomers 7635 WOYWLLHHWAMFCB-UHFFFAOYSA-N CCCCC(CC)COC(=O)C
2-Heptanol 543-49-7 Sum of Isomers 10976 CETWDUZRCINIHU-UHFFFAOYSA-N CCCCCC(C)O
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