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4-(Hydroxymethyl)benzonitrile
SpectraBase Compound ID HADwcyfmjHi
InChI InChI=1S/C8H7NO/c9-5-7-1-3-8(6-10)4-2-7/h1-4,10H,6H2
InChIKey XAASLEJRGFPHEV-UHFFFAOYSA-N
Mol Weight 133.15 g/mol
Molecular Formula C8H7NO
Exact Mass 133.052764 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L4arqNL9Zui
Name 4-(hydroxymethyl)benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 133.052763848 u
Formula C8H7NO
InChI InChI=1S/C8H7NO/c9-5-7-1-3-8(6-10)4-2-7/h1-4,10H,6H2
InChIKey XAASLEJRGFPHEV-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS QP2010
Ionization Type EI
Literature Reference DOI 10.1002/ajoc.202200626
Molecular Weight 133.150 g/mol
Quality 679
SMILES OCC=1C=CC(=CC1)C#N
SPLASH splash10-0ue9-2900000000-06544ae6b5b95d0f8692
Source of Spectrum AJO-12-SM8-Figure S3-6 (DOI: 10.1002/ajoc.202200626)
Wiley ID 1900880