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Benzoic acid, 2-methoxy-4-methyl-3-nitro-, methyl ester
SpectraBase Compound ID 4n3tVbNSrJC
InChI InChI=1S/C10H11NO5/c1-6-4-5-7(10(12)16-3)9(15-2)8(6)11(13)14/h4-5H,1-3H3
InChIKey ITSZJKBSTXPNLB-UHFFFAOYSA-N
Mol Weight 225.2 g/mol
Molecular Formula C10H11NO5
Exact Mass 225.063722 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 34jZtvVqY1p
Name Benzoic acid, 2-methoxy-4-methyl-3-nitro-, methyl ester
Alternate Name(s) 2-Methoxy-4-methyl-3-nitrobenzoic acid methyl ester Methyl 2-methoxy-4-methyl-3-nitro-benzoate Methyl 2-methoxy-4-methyl-3-nitrobenzoate
CAS Registry Number 24279-20-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H11NO5
InChI InChI=1S/C10H11NO5/c1-6-4-5-7(10(12)16-3)9(15-2)8(6)11(13)14/h4-5H,1-3H3
InChIKey ITSZJKBSTXPNLB-UHFFFAOYSA-N
Molecular Weight 225.200 g/mol
SMILES COc1c(C(=O)OC)ccc(C)c1N(=O)=O
SPLASH splash10-03di-7900000000-ab546ab4a018bdd7a67c
Wiley ID 1483242