New Database Available - Released on 23/03/2024.
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molecules
Showing 31 to 60 of 771 results
 
Name
CAS
Mixture
CID
InChIKey
Smiles
acetic acid 64-19-7 mono 176 QTBSBXVTEAMEQO-UHFFFAOYSA-N CC(=O)O
butyric acid 107-92-6 mono 264 FERIUCNNQQJTOY-UHFFFAOYSA-N CCCC(=O)O
coumarin 91-64-5 mono 323 ZYGHJZDHTFUPRJ-UHFFFAOYSA-N C1=CC=C2C(=C1)C=CC(=O)O2
dodecanoic acid 143-07-7 mono 3893 POULHZVOKOAJMA-UHFFFAOYSA-N CCCCCCCCCCCC(=O)O
ethyl decanoate 110-38-3 mono 8048 RGXWDWUGBIJHDO-UHFFFAOYSA-N CCCCCCCCCC(=O)OCC
ethyl dodecanoate 106-33-2 mono 7800 MMXKVMNBHPAILY-UHFFFAOYSA-N CCCCCCCCCCCC(=O)OCC
ethyl hexadecanoate 628-97-7 mono 12366 XIRNKXNNONJFQO-UHFFFAOYSA-N CCCCCCCCCCCCCCCC(=O)OCC
ethyl octadecanoate 111-61-5 mono 8122 MVLVMROFTAUDAG-UHFFFAOYSA-N CCCCCCCCCCCCCCCCCC(=O)OCC
ethyl octanoate 106-32-1 mono 7799 YYZUSRORWSJGET-UHFFFAOYSA-N CCCCCCCC(=O)OCC
ethyl tetradecanoate 124-06-1 mono 31283 MMKRHZKQPFCLLS-UHFFFAOYSA-N CCCCCCCCCCCCCC(=O)OCC
eugenol 97-53-0 mono 3314 RRAFCDWBNXTKKO-UHFFFAOYSA-N COC1=C(C=CC(=C1)CC=C)O
farnesol 4602-84-0 mono 445070 CRDAMVZIKSXKFV-YFVJMOTDSA-N CC(=CCC/C(=C/CC/C(=C/CO)/C)/C)C
geraniol 106-24-1 mono 637566 GLZPCOQZEFWAFX-JXMROGBWSA-N CC(=CCC/C(=C/CO)/C)C
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
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
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