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4-(1-Hydroxy-2-methyl-3-butenyl)benzonitrile

View entire compound with spectra: 2 MS (GC)

4-(1-Hydroxy-2-methyl-3-butenyl)benzonitrile
SpectraBase Compound ID DyY5mzwbJqu
InChI InChI=1S/C12H13NO/c1-3-9(2)12(14)11-6-4-10(8-13)5-7-11/h3-7,9,12,14H,1H2,2H3
InChIKey RWSFDBPEKOQHEQ-UHFFFAOYSA-N
Mol Weight 187.24 g/mol
Molecular Formula C12H13NO
Exact Mass 187.099714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LtHBdWOuOaK
Name 4-(1-Hydroxy-2-methyl-3-butenyl)benzonitrile
Alternate Name(s) 4-(1-hydroxy-2-methyl-but-3-enyl)benzonitrile 4-(2-Methyl-1-oxidanyl-but-3-enyl)benzenecarbonitrile Benzonitrile, 4-(1-hydroxy-2-methyl-3-butenyl)-, (R*,R*)-
CAS Registry Number 83173-80-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO
InChI InChI=1S/C12H13NO/c1-3-9(2)12(14)11-6-4-10(8-13)5-7-11/h3-7,9,12,14H,1H2,2H3
InChIKey RWSFDBPEKOQHEQ-UHFFFAOYSA-N
Molecular Weight 187.242 g/mol
SMILES OC(c1ccc(cc1)C#N)C(C)C=C
SPLASH splash10-001i-6900000000-7eb78f5b74ea479cebec
Wiley ID 1487386