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o-nitrobenzoic acid, methyl ester
SpectraBase Compound ID 5dSswIXlziC
InChI InChI=1S/C8H7NO4/c1-13-8(10)6-4-2-3-5-7(6)9(11)12/h2-5H,1H3
InChIKey AOXPHVNMBPFOFS-UHFFFAOYSA-N
Mol Weight 181.15 g/mol
Molecular Formula C8H7NO4
Exact Mass 181.037508 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 75fqri4BvYe
Name Benzoic acid, 2-nitro-, methyl ester
CAS Registry Number 606-27-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7NO4
InChI InChI=1S/C8H7NO4/c1-13-8(10)6-4-2-3-5-7(6)9(11)12/h2-5H,1H3
InChIKey AOXPHVNMBPFOFS-UHFFFAOYSA-N
Molecular Weight 181.147 g/mol
SMILES COC(=O)c1ccccc1N(=O)=O
SPLASH splash10-0udi-8900000000-2d0a41b2739860340324
Source of Spectrum JX-2012-864
Synonyms Methyl 2-nitrobenzoate 2-Nitrobenzoic acid methyl ester Benzoic acid, o-nitro-, methyl ester Methyl o-nitro benzoate Methyl ortho-nitrobenzoate AI3-02416 EINECS 210-111-8 NSC 4136
Wiley ID 1661310