New Database Available - Released on 29/09/2026.
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molecules
Showing 181 to 210 of 763 results
 
Name
Mixture
Reference
Name
CAS
Mixture
CID
InChIKey
SMILES
4-Phenylpyridine 939-23-1 Monomolecular 13651 JVZRCNQLWOELDU-UHFFFAOYSA-N C1=CC=C(C=C1)C2=CC=NC=C2
4-Methoxystyrene 637-69-4 Monomolecular 12507 UAJRSHJHFRVGMG-UHFFFAOYSA-N COC1=CC=C(C=C1)C=C
4-Vinylphenol 2628-17-3 Monomolecular 62453 FUGYGGDSWSUORM-UHFFFAOYSA-N C=CC1=CC=C(C=C1)O
3,4-Dimethoxystyrene 6380-23-0 Monomolecular 61400 NJXYTXADXSRFTJ-UHFFFAOYSA-N COC1=C(C=C(C=C1)C=C)OC
5-Hexenenitrile 5048-19-1 Monomolecular 123222 UNAQSRLBVVDYGP-UHFFFAOYSA-N C=CCCCC#N
5-Methyl-2-hepten-4-one 81925-81-7 Sum of Isomers 5362588 ARJWAURHQDJJAC-GQCTYLIASA-N CCC(C)C(=O)/C=C/C
Acetoin 513-86-0 Sum of Isomers 179 ROWKJAVDOGWPAT-UHFFFAOYSA-N CC(C(=O)C)O
Acetylacetone 123-54-6 Monomolecular 31261 YRKCREAYFQTBPV-UHFFFAOYSA-N CC(=O)CC(=O)C
Alcopol FL 38916-42-6 Sum of Isomers 38164 XZPMQCKVOWVETG-UHFFFAOYSA-J CCCCCCCCCCCCCCCCCCN(C(CC(=O)[O-])C(=O)[O ...
Anisole 100-66-3 Monomolecular 7519 RDOXTESZEPMUJZ-UHFFFAOYSA-N COC1=CC=CC=C1
alpha-Pinene oxide 1686-14-2 Sum of Isomers 91508 NQFUSWIGRKFAHK-UHFFFAOYSA-N CC1(C2CC1C3(C(C2)O3)C)C
Phenylacetaldehyde 122-78-1 Monomolecular 998 DTUQWGWMVIHBKE-UHFFFAOYSA-N C1=CC=C(C=C1)CC=O
Benzenepropanenitrile 645-59-0 Monomolecular 12581 ACRWYXSKEHUQDB-UHFFFAOYSA-N C1=CC=C(C=C1)CCC#N
Benzoic Acid 65-85-0 Monomolecular 243 WPYMKLBDIGXBTP-UHFFFAOYSA-N C1=CC=C(C=C1)C(=O)O
Benzothiazole 95-16-9 Monomolecular 7222 IOJUPLGTWVMSFF-UHFFFAOYSA-N C1=CC=C2C(=C1)N=CS2
Benzyl Alcohol 100-51-6 Monomolecular 244 WVDDGKGOMKODPV-UHFFFAOYSA-N C1=CC=C(C=C1)CO
Phenylacetonitrile 140-29-4 Monomolecular 8794 SUSQOBVLVYHIEX-UHFFFAOYSA-N C1=CC=C(C=C1)CC#N
Butyraldoxime, (E)- 5775-75-7 Monomolecular 5324278 KGGVGTQEGGOZRN-SNAWJCMRSA-N CCC/C=N/O
2,6-Di-tert-butyl-4-methylphenol 128-37-0 Monomolecular 31404 NLZUEZXRPGMBCV-UHFFFAOYSA-N CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
Gamma-Butyrolactone 96-48-0 Monomolecular 7302 YEJRWHAVMIAJKC-UHFFFAOYSA-N C1CC(=O)OC1
Caprolactam 105-60-2 Monomolecular 7768 JBKVHLHDHHXQEQ-UHFFFAOYSA-N C1CCC(=O)NCC1
(-)-Caryophyllene 87-44-5 Monomolecular 5281515 NPNUFJAVOOONJE-GFUGXAQUSA-N C/C/1=C\CCC(=C)[C@H]2CC([C@@H]2CC1)(C)C
Catechol 120-80-9 Monomolecular 289 YCIMNLLNPGFGHC-UHFFFAOYSA-N C1=CC=C(C(=C1)O)O
Cinnamaldehyde 104-55-2 Monomolecular 637511 KJPRLNWUNMBNBZ-QPJJXVBHSA-N C1=CC=C(C=C1)/C=C/C=O
beta-Farnesene, (6Z)- 28973-97-9 Monomolecular 5317319 JSNRRGGBADWTMC-QINSGFPZSA-N CC(=CCC/C(=C\CCC(=C)C=C)/C)C
Citronellol 106-22-9 Sum of Isomers 8842 QMVPMAAFGQKVCJ-UHFFFAOYSA-N CC(CCC=C(C)C)CCO
Dihydrobenzofuran 496-16-2 Monomolecular 10329 HBEDSQVIWPRPAY-UHFFFAOYSA-N C1COC2=CC=CC=C21
Cyclohexanol 108-93-0 Monomolecular 7966 HPXRVTGHNJAIIH-UHFFFAOYSA-N C1CCC(CC1)O
Decane 124-18-5 Monomolecular 15600 DIOQZVSQGTUSAI-UHFFFAOYSA-N CCCCCCCCCC
Diacetone Alcohol 123-42-2 Monomolecular 31256 SWXVUIWOUIDPGS-UHFFFAOYSA-N CC(=O)CC(C)(C)O
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