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3-(1'-hydroxyallyl)benzonitrile
SpectraBase Compound ID DBJDFSMXTwH
InChI InChI=1S/C10H9NO/c1-2-10(12)9-5-3-4-8(6-9)7-11/h2-6,10,12H,1H2
InChIKey HOWPYAYKBZTZCR-UHFFFAOYSA-N
Mol Weight 159.19 g/mol
Molecular Formula C10H9NO
Exact Mass 159.068414 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Lcu6NswwC
Name 3-(1'-hydroxyallyl)benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H9NO
InChI InChI=1S/C10H9NO/c1-2-10(12)9-5-3-4-8(6-9)7-11/h2-6,10,12H,1H2
InChIKey HOWPYAYKBZTZCR-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201000213
Molecular Weight 159.188 g/mol
SMILES OC(C=C)c1cc(C#N)ccc1
SPLASH splash10-014l-2900000000-033aeb560128e443ce10
Source of Spectrum ASC-352-2023/SM13-43
Synonyms 3-(1-Hydroxyallyl)benzonitrile 3-(1-hydroxyprop-2-enyl)benzonitrile 3-(1-oxidanylprop-2-enyl)benzenecarbonitrile
Wiley ID 1763926