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2-Methoxy-3,5-dinitrobenzoic acid
SpectraBase Compound ID H95LmUC3GVW
InChI InChI=1S/C8H6N2O7/c1-17-7-5(8(11)12)2-4(9(13)14)3-6(7)10(15)16/h2-3H,1H3,(H,11,12)
InChIKey PZYVEKZGHNZKIS-UHFFFAOYSA-N
Mol Weight 242.14 g/mol
Molecular Formula C8H6N2O7
Exact Mass 242.017501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3vbISMYDZQP
Name 2-Methoxy-3,5-dinitrobenzoic acid
Alternate Name(s) 3,5-Dinitro-2-methoxybenzoic acid
CAS Registry Number 6083-67-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6N2O7
InChI InChI=1S/C8H6N2O7/c1-17-7-5(8(11)12)2-4(9(13)14)3-6(7)10(15)16/h2-3H,1H3,(H,11,12)
InChIKey PZYVEKZGHNZKIS-UHFFFAOYSA-N
Molecular Weight 242.143 g/mol
SMILES OC(c1cc(cc(c1OC)N(=O)=O)N(=O)=O)=O
SPLASH splash10-0006-2900000000-bac6db16afda76e0cf70
Source of Spectrum J-51-3021-4
Wiley ID 1244476