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2-(3-aminobenzyl)-3-hydroxypropanenitrile
SpectraBase Compound ID BSNsNkKBSCc
InChI InChI=1S/C10H12N2O/c11-6-9(7-13)4-8-2-1-3-10(12)5-8/h1-3,5,9,13H,4,7,12H2
InChIKey ZCARXLSIFSKJON-UHFFFAOYSA-N
Mol Weight 176.22 g/mol
Molecular Formula C10H12N2O
Exact Mass 176.094963 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 31iTuRNeN5V
Name 2-(3-aminobenzyl)-3-hydroxypropanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12N2O
InChI InChI=1S/C10H12N2O/c11-6-9(7-13)4-8-2-1-3-10(12)5-8/h1-3,5,9,13H,4,7,12H2
InChIKey ZCARXLSIFSKJON-UHFFFAOYSA-N
Literature Reference DOI 10.1002/aoc.4800
Molecular Weight 176.219 g/mol
SMILES OCC(Cc1cc(ccc1)N)C#N
SPLASH splash10-0a4i-3900000000-c82a5b14bb4d5cbbcb20
Source of Spectrum AOC-33-SM9-Fig.S.9
Wiley ID 1819305