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(S)-(+)-1-(4-Cyanophenyl)-2-nitroethanol
SpectraBase Compound ID 6ZJ8QW7LIQq
InChI InChI=1S/C9H8N2O3/c10-5-7-1-3-8(4-2-7)9(12)6-11(13)14/h1-4,9,12H,6H2/t9-/m1/s1
InChIKey NXGSXZLSMLYJKP-SECBINFHSA-N
Mol Weight 192.17 g/mol
Molecular Formula C9H8N2O3
Exact Mass 192.053492 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E1TeRbIEfEZ
Name (S)-(+)-1-(4-Cyanophenyl)-2-nitroethanol
Alternate Name(s) (S)-4-(1-hydroxy-2-nitroethyl)benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8N2O3
InChI InChI=1S/C9H8N2O3/c10-5-7-1-3-8(4-2-7)9(12)6-11(13)14/h1-4,9,12H,6H2/t9-/m1/s1
InChIKey NXGSXZLSMLYJKP-SECBINFHSA-N
Literature Reference DOI 10.1002/adsc.201200337
Molecular Weight 192.174 g/mol
SMILES O[C@](C[N+](=O)[O-])(c1ccc(cc1)C#N)[H]
SPLASH splash10-0002-2900000000-ca3acc99b5cef9c050ee
Source of Spectrum ASC-354-n/a/SM25-43
Wiley ID 1762700