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3-Phenyl-2-acetyl-1-hydroxycyclohexene-4-carbonitrile
SpectraBase Compound ID AldPl5TjNwE
InChI InChI=1S/C15H15NO2/c1-10(17)14-13(18)8-7-12(9-16)15(14)11-5-3-2-4-6-11/h2-6,12,15,18H,7-8H2,1H3
InChIKey ZOFOIUVMLVSJPK-UHFFFAOYSA-N
Mol Weight 241.29 g/mol
Molecular Formula C15H15NO2
Exact Mass 241.110279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EGX5UQigW0h
Name 3-Phenyl-2-acetyl-1-hydroxycyclohexene-4-carbonitrile
CAS Registry Number 88483-87-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H15NO2
InChI InChI=1S/C15H15NO2/c1-10(17)14-13(18)8-7-12(9-16)15(14)11-5-3-2-4-6-11/h2-6,12,15,18H,7-8H2,1H3
InChIKey ZOFOIUVMLVSJPK-UHFFFAOYSA-N
Molecular Weight 241.290 g/mol
SMILES OC1=C(C(C(C#N)CC1)c1ccccc1)C(=O)C
SPLASH splash10-06tp-2970000000-9a8076ba9a5672671cb7
Source of Spectrum AJ-57-3232-29
Synonyms 3-Phenyl-2-acetyl-1-hydroxycyclohexene-4-carbonitrile isomer 3-Acetyl-4-hydroxy-2-phenyl-3-cyclohexene-1-carbonitrile 3-Acetyl-4-hydroxy-2-phenyl-1-cyclohex-3-enecarbonitrile 3-Acetyl-4-hydroxy-2-phenylcyclohex-3-ene-1-carbonitrile 3-Ethanoyl-4-oxidanyl-2-phenyl-cyclohex-3-ene-1-carbonitrile
Wiley ID 1244236