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1-(Hydroxy(4-nitrophenyl)methyl)allylcyanide

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

1-(Hydroxy(4-nitrophenyl)methyl)allylcyanide
SpectraBase Compound ID ABwn5HIEGq0
InChI InChI=1S/C11H10N2O3/c1-2-8(7-12)11(14)9-3-5-10(6-4-9)13(15)16/h2-6,8,11,14H,1H2
InChIKey PBLICVQHQBBJQN-UHFFFAOYSA-N
Mol Weight 218.21 g/mol
Molecular Formula C11H10N2O3
Exact Mass 218.069142 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JmO9mnx8idI
Name 1-(Hydroxy(4-nitrophenyl)methyl)allylcyanide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 218.069142187 u
Formula C11H10N2O3
InChI InChI=1S/C11H10N2O3/c1-2-8(7-12)11(14)9-3-5-10(6-4-9)13(15)16/h2-6,8,11,14H,1H2
InChIKey PBLICVQHQBBJQN-UHFFFAOYSA-N
Molecular Weight 218.212 g/mol
SMILES C1(N(=O)=O)=CC=C(C(C(C#N)C=C)O)C=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.86647