New Database Available - Released on 11/08/2026.
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molecules
Showing 451 to 480 of 627 results
 
Name
Mixture
Reference
Name
CAS
Mixture
CID
InChIKey
SMILES
Benzothiazole 95-16-9 Monomolecular 7222 IOJUPLGTWVMSFF-UHFFFAOYSA-N C1=CC=C2C(=C1)N=CS2
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
Caprolactam 105-60-2 Monomolecular 7768 JBKVHLHDHHXQEQ-UHFFFAOYSA-N C1CCC(=O)NCC1
Catechol 120-80-9 Monomolecular 289 YCIMNLLNPGFGHC-UHFFFAOYSA-N C1=CC=C(C(=C1)O)O
beta-Farnesene, (6Z)- 28973-97-9 Monomolecular 5317319 JSNRRGGBADWTMC-QINSGFPZSA-N CC(=CCC/C(=C\CCC(=C)C=C)/C)C
N,N-Dibutylformamide 761-65-9 Monomolecular 12975 NZMAJUHVSZBJHL-UHFFFAOYSA-N CCCCN(CCCC)C=O
Dihydroactinidiolide 17092-92-1 Monomolecular 6432173 IMKHDCBNRDRUEB-LLVKDONJSA-N C[C@@]12CCCC(C1=CC(=O)O2)(C)C
Dodecanal 112-54-9 Monomolecular 8194 HFJRKMMYBMWEAD-UHFFFAOYSA-N CCCCCCCCCCCC=O
Ethyl Myristate 124-06-1 Monomolecular 31283 MMKRHZKQPFCLLS-UHFFFAOYSA-N CCCCCCCCCCCCCC(=O)OCC
Ethyl palmitate 628-97-7 Monomolecular 12366 XIRNKXNNONJFQO-UHFFFAOYSA-N CCCCCCCCCCCCCCCC(=O)OCC
Globulol 489-41-8 Monomolecular 12304985 AYXPYQRXGNDJFU-QTPLKFIXSA-N C[C@@H]1CC[C@@H]2[C@@H]1[C@H]3[C@H](C3(C ...
Homosalate 118-56-9 Sum of Isomers 8362 WSSJONWNBBTCMG-UHFFFAOYSA-N CC1CC(CC(C1)(C)C)OC(=O)C2=CC=CC=C2O
Isoborneol 124-76-5 Monomolecular 6321405 DTGKSKDOIYIVQL-MRTMQBJTSA-N C[C@@]12CC[C@@H](C1(C)C)C[C@H]2O
Isophthalaldehyde 626-19-7 Monomolecular 34777 IZALUMVGBVKPJD-UHFFFAOYSA-N C1=CC(=CC(=C1)C=O)C=O
3-Methyl-3-buten-1-ol 763-32-6 Monomolecular 12988 CPJRRXSHAYUTGL-UHFFFAOYSA-N CC(=C)CCO
M-Cymene 535-77-3 Monomolecular 10812 XCYJPXQACVEIOS-UHFFFAOYSA-N CC1=CC(=CC=C1)C(C)C
Methyl Oleate 112-62-9 Monomolecular 5364509 QYDYPVFESGNLHU-KHPPLWFESA-N CCCCCCCC/C=C\CCCCCCCC(=O)OC
Methyl Stearate 112-61-8 Monomolecular 8201 HPEUJPJOZXNMSJ-UHFFFAOYSA-N CCCCCCCCCCCCCCCCCC(=O)OC
Methyl 2,4-Dihydroxybenzoate 2150-47-2 Monomolecular 16523 IIFCLXHRIYTHPV-UHFFFAOYSA-N COC(=O)C1=C(C=C(C=C1)O)O
3-Methoxytoluene 100-84-5 Monomolecular 7530 OSIGJGFTADMDOB-UHFFFAOYSA-N CC1=CC(=CC=C1)OC
Musk ketone 81-14-1 Monomolecular 6669 WXCMHFPAUCOJIG-UHFFFAOYSA-N CC1=C(C(=C(C(=C1[N+](=O)[O-])C(C)(C)C)[N ...
Neophytadiene 504-96-1 Sum of Isomers 10446 NIDGCIPAMWNKOA-UHFFFAOYSA-N CC(C)CCCC(C)CCCC(C)CCCC(=C)C=C
N-Ethylmaleimide 128-53-0 Monomolecular 4362 HDFGOPSGAURCEO-UHFFFAOYSA-N CCN1C(=O)C=CC1=O
N-Methylbenzamide 613-93-4 Monomolecular 11954 NCCHARWOCKOHIH-UHFFFAOYSA-N CNC(=O)C1=CC=CC=C1
Ethyl stearate 111-61-5 Monomolecular 8122 MVLVMROFTAUDAG-UHFFFAOYSA-N CCCCCCCCCCCCCCCCCC(=O)OCC
Octane 111-65-9 Monomolecular 356 TVMXDCGIABBOFY-UHFFFAOYSA-N CCCCCCCC
Octyl Palmitate 16958-85-3 Monomolecular 85651 OQILCOQZDHPEAZ-UHFFFAOYSA-N CCCCCCCCCCCCCCCC(=O)OCCCCCCCC
Olivetol 500-66-3 Monomolecular 10377 IRMPFYJSHJGOPE-UHFFFAOYSA-N CCCCCC1=CC(=CC(=C1)O)O
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