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4-Nitro-m-toluic acid methyl ester
SpectraBase Compound ID PRav9Rf8un
InChI InChI=1S/C9H9NO4/c1-6-5-7(9(11)14-2)3-4-8(6)10(12)13/h3-5H,1-2H3
InChIKey IEFONJKJLZFGKQ-UHFFFAOYSA-N
Mol Weight 195.17 g/mol
Molecular Formula C9H9NO4
Exact Mass 195.053158 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C8Ng2TvNIkk
Name Methyl 3-methyl-4-nitrobenzoate
CAS Registry Number 24078-21-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9NO4
InChI InChI=1S/C9H9NO4/c1-6-5-7(9(11)14-2)3-4-8(6)10(12)13/h3-5H,1-2H3
InChIKey IEFONJKJLZFGKQ-UHFFFAOYSA-N
Molecular Weight 195.174 g/mol
SMILES c1(N(=O)=O)c(cc(C(=O)OC)cc1)C
SPLASH splash10-05r3-2950000000-076528a84310a24b2b58
Source of Spectrum RB-1982-13847-0
Synonyms 3-Methyl-4-nitro-benzoic acid methyl ester Benzoic acid, 3-methyl-4-nitro-, methyl ester m-Toluic acid, 4-nitro-, methyl ester Methyl 3-methyl-4-nitro-benzoate 3-Methyl-4-nitrobenzoic acid methyl ester
Wiley ID 1191849