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

View entire compound with spectra: 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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EE2unELsA3u
Name 2-(3-hydroxy-4-methoxy-2,6-dinitro-phenyl)acetonitrile
Alternate Name(s) 2-(4-Methoxy-2,6-dinitro-3-oxidanyl-phenyl)ethanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 Oc1c(c(c(N(=O)=O)cc1OC)CC#N)N(=O)=O
SPLASH splash10-0udi-0690000000-87d380ffb6325212defb
Source of Spectrum SO-0-1132-2
Wiley ID 874874