New Database Available - Released on 23/03/2024.
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molecules
Showing 31 to 60 of 768 results
 
Name
CAS
Mixture
CID
InChIKey
Smiles
heptanoic acid 111-14-8 mono 8094 MNWFXJYAOYHMED-UHFFFAOYSA-N CCCCCCC(=O)O
2,6-Dimethylpyrazine mono 7938 HJFZAYHYIWGLNL-UHFFFAOYSA-N CC1=CN=CC(=N1)C
hexanoic acid 142-62-1 mono 8892 FUZZWVXGSFPDMH-UHFFFAOYSA-N CCCCCC(=O)O
isovaleric acid 503-74-2 mono 10430 GWYFCOCPABKNJV-UHFFFAOYSA-N CC(C)CC(=O)O
lactic acid 50-21-5 sum of isomers 612 JVTAAEKCZFNVCJ-UHFFFAOYSA-N CC(C(=O)O)O
lilial 80-54-6 sum of isomers 228987 SDQFDHOLCGWZPU-UHFFFAOYSA-N CC(CC1=CC=C(C=C1)C(C)(C)C)C=O
linalool 78-70-6 sum of isomers 6549 CDOSHBSSFJOMGT-UHFFFAOYSA-N CC(=CCCC(C)(C=C)O)C
lyral 31906-04-4 sum of isomers 91604 ORMHZBNNECIKOH-UHFFFAOYSA-N CC(C)(CCCC1=CCC(CC1)C=O)O
melatonin 73-31-4 mono 896 DRLFMBDRBRZALE-UHFFFAOYSA-N CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC
methyl decanoate 110-42-9 mono 8050 YRHYCMZPEVDGFQ-UHFFFAOYSA-N CCCCCCCCCC(=O)OC
methyl dodecanoate 111-82-0 mono 8139 UQDUPQYQJKYHQI-UHFFFAOYSA-N CCCCCCCCCCCC(=O)OC
methyl hexadecanoate 112-39-0 mono 8181 FLIACVVOZYBSBS-UHFFFAOYSA-N CCCCCCCCCCCCCCCC(=O)OC
methyl octadecanoate 112-61-8 mono 8201 HPEUJPJOZXNMSJ-UHFFFAOYSA-N CCCCCCCCCCCCCCCCCC(=O)OC
methyl octanoate 111-11-5 mono 8091 JGHZJRVDZXSNKQ-UHFFFAOYSA-N CCCCCCCC(=O)OC
methyl tetradecanoate 124-10-7 mono 31284 ZAZKJZBWRNNLDS-UHFFFAOYSA-N CCCCCCCCCCCCCC(=O)OC
m-xylene 108-38-3 mono 7929 IVSZLXZYQVIEFR-UHFFFAOYSA-N CC1=CC(=CC=C1)C
nonanal 124-19-6 mono 31289 GYHFUZHODSMOHU-UHFFFAOYSA-N CCCCCCCCC=O
(+/-)-Muscone 541-91-3 sum of isomers 10947 ALHUZKCOMYUFRB-UHFFFAOYSA-N CC1CCCCCCCCCCCCC(=O)C1
octadecanoic acid 57-11-4 mono 5281 QIQXTHQIDYTFRH-UHFFFAOYSA-N CCCCCCCCCCCCCCCCCC(=O)O
octanal 124-13-0 mono 454 NUJGJRNETVAIRJ-UHFFFAOYSA-N CCCCCCCC=O
octanoic acid 124-07-2 mono 379 WWZKQHOCKIZLMA-UHFFFAOYSA-N CCCCCCCC(=O)O
palmitic acid 57-10-3 mono 985 IPCSVZSSVZVIGE-UHFFFAOYSA-N CCCCCCCCCCCCCCCC(=O)O
p-anisaldehyde 123-11-5 mono 31244 ZRSNZINYAWTAHE-UHFFFAOYSA-N COC1=CC=C(C=C1)C=O
p-cymene 99-87-6 mono 7463 HFPZCAJZSCWRBC-UHFFFAOYSA-N CC1=CC=C(C=C1)C(C)C
pentadecanoic acid 1002-84-2 mono 13849 WQEPLUUGTLDZJY-UHFFFAOYSA-N CCCCCCCCCCCCCCC(=O)O
propionic acid 79-09-4 mono 1032 XBDQKXXYIPTUBI-UHFFFAOYSA-N CCC(=O)O
sotolon 28664-35-9 sum of isomers 62835 UNYNVICDCJHOPO-UHFFFAOYSA-N CC1C(=C(C(=O)O1)O)C
tetradecanoic acid 544-63-8 mono 11005 TUNFSRHWOTWDNC-UHFFFAOYSA-N CCCCCCCCCCCCCC(=O)O
undecanal 112-44-7 mono 8186 KMPQYAYAQWNLME-UHFFFAOYSA-N CCCCCCCCCCC=O
vanillin 121-33-5 mono 1183 MWOOGOJBHIARFG-UHFFFAOYSA-N COC1=C(C=CC(=C1)C=O)O