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2-(3-Hydroxy-4-methoxy-2,6-dinitro-phenyl)acetonitrile

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

2-(3-Hydroxy-4-methoxy-2,6-dinitro-phenyl)acetonitrile
SpectraBase Compound ID 5YeF1PZ4QP9
InChI InChI=1S/C9H7N3O6/c1-18-7-4-6(11(14)15)5(2-3-10)8(9(7)13)12(16)17/h4,13H,2H2,1H3
InChIKey ZVJBZMHJRISXJF-UHFFFAOYSA-N
Mol Weight 253.17 g/mol
Molecular Formula C9H7N3O6
Exact Mass 253.033485 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4JKLGCcvtW4
Name 2-(3-Hydroxy-4-methoxy-2,6-dinitro-phenyl)acetonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 253.033484951 u
Formula C9H7N3O6
InChI InChI=1S/C9H7N3O6/c1-18-7-4-6(11(14)15)5(2-3-10)8(9(7)13)12(16)17/h4,13H,2H2,1H3
InChIKey ZVJBZMHJRISXJF-UHFFFAOYSA-N
Molecular Weight 253.170 g/mol
SMILES C=1(C(=C(N(=O)=O)C=C(C1O)OC)CC#N)N(=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.865092