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2-(4-nitrophenyl)-2-oxidanyl-ethanenitrile
SpectraBase Compound ID 3XR5N25PFp
InChI InChI=1S/C8H6N2O3/c9-5-8(11)6-1-3-7(4-2-6)10(12)13/h1-4,8,11H
InChIKey OVXMNRYLZWZZFE-UHFFFAOYSA-N
Mol Weight 178.15 g/mol
Molecular Formula C8H6N2O3
Exact Mass 178.037842 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I8abiqNfgcc
Name 2-(4-nitrophenyl)-2-oxidanyl-ethanenitrile
CAS Registry Number 13312-80-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6N2O3
InChI InChI=1S/C8H6N2O3/c9-5-8(11)6-1-3-7(4-2-6)10(12)13/h1-4,8,11H
InChIKey OVXMNRYLZWZZFE-UHFFFAOYSA-N
Molecular Weight 178.147 g/mol
SMILES OC(C#N)c1ccc(N(=O)=O)cc1
SPLASH splash10-0udi-2900000000-3653e13f12584a404714
Source of Spectrum K-114-2917-0
Synonyms 2-Hydroxy-2-(4-nitrophenyl)acetonitrile
Wiley ID 1173695