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Methyl 3,4,5-trimethoxy-2,6-dinitrobenzoate
SpectraBase Compound ID FjaKq1G9sH2
InChI InChI=1S/C11H12N2O9/c1-19-8-6(12(15)16)5(11(14)22-4)7(13(17)18)9(20-2)10(8)21-3/h1-4H3
InChIKey AAMUAUAHCKODNJ-UHFFFAOYSA-N
Mol Weight 316.22 g/mol
Molecular Formula C11H12N2O9
Exact Mass 316.05428 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EuB8niocTM2
Name Methyl 3,4,5-trimethoxy-2,6-dinitrobenzoate
CAS Registry Number 309922-16-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12N2O9
InChI InChI=1S/C11H12N2O9/c1-19-8-6(12(15)16)5(11(14)22-4)7(13(17)18)9(20-2)10(8)21-3/h1-4H3
InChIKey AAMUAUAHCKODNJ-UHFFFAOYSA-N
Molecular Weight 316.222 g/mol
SMILES c1(c(c(N(=O)=O)c(c(c1OC)OC)OC)C(=O)OC)N(=O)=O
SPLASH splash10-014i-9826000000-ce47a56df6c107a46210
Source of Spectrum AD-0-2532-0
Synonyms 3,4,5-trimethoxy-2,6-dinitro-benzoic acid methyl ester Benzoic acid, 3,4,5-trimethoxy-2,6-dinitro-, methyl ester 3,4,5-trimethoxy-2,6-dinitrobenzoic acid methyl ester
Wiley ID 1431753