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Benzoic acid, 3-chloro-2-nitro-, methyl ester

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

Benzoic acid, 3-chloro-2-nitro-, methyl ester
SpectraBase Compound ID Den97MrmTaI
InChI InChI=1S/C8H6ClNO4/c1-14-8(11)5-3-2-4-6(9)7(5)10(12)13/h2-4H,1H3
InChIKey VTWUVGLVDQXCJO-UHFFFAOYSA-N
Mol Weight 215.59 g/mol
Molecular Formula C8H6ClNO4
Exact Mass 214.998535 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6lMTD5RwEsU
Name Benzoic acid, 3-chloro-2-nitro-, methyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6ClNO4
InChI InChI=1S/C8H6ClNO4/c1-14-8(11)5-3-2-4-6(9)7(5)10(12)13/h2-4H,1H3
InChIKey VTWUVGLVDQXCJO-UHFFFAOYSA-N
Molecular Weight 215.592 g/mol
SMILES COC(=O)c1cccc(Cl)c1[N+]([O-])=O
SPLASH splash10-01u0-9500000000-c566a4f25ffbd819a520
Source of Spectrum JX-2015-0-243
Synonyms Methyl 3-chloro-2-nitrobenzoate 3-Chloro-2-nitrobenzoic acid methyl ester Methyl 3-chloro-2-nitro-benzoate Methyl 3-chloranyl-2-nitro-benzoate
Wiley ID 1720206