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3-Acetoxy-5-methyl-4-nitro-phthalic acid, dimethyl ester
SpectraBase Compound ID 1RmTgzY6R5O
InChI InChI=1S/C13H13NO8/c1-6-5-8(12(16)20-3)9(13(17)21-4)11(22-7(2)15)10(6)14(18)19/h5H,1-4H3
InChIKey KQOJEGRTHFYTHN-UHFFFAOYSA-N
Mol Weight 311.25 g/mol
Molecular Formula C13H13NO8
Exact Mass 311.064116 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EDb06kPOvzf
Name 3-Acetoxy-5-methyl-4-nitro-phthalic acid, dimethyl ester
CAS Registry Number 89586-28-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13NO8
InChI InChI=1S/C13H13NO8/c1-6-5-8(12(16)20-3)9(13(17)21-4)11(22-7(2)15)10(6)14(18)19/h5H,1-4H3
InChIKey KQOJEGRTHFYTHN-UHFFFAOYSA-N
Molecular Weight 311.246 g/mol
SMILES C(=O)(c1c(c(c(c(c1)C)N(=O)=O)OC(=O)C)C(=O)OC)OC
SPLASH splash10-000l-9580000000-b54ab5ff9bda3fc218c9
Synonyms 3-Acetoxy-5-methyl-4-nitro-benzene-1,2-dicarboxylic acid dimethyl ester 3-Acetyloxy-5-methyl-4-nitrobenzene-1,2-dicarboxylic acid dimethyl ester Dimethyl 3-(acetyloxy)-5-methyl-4-nitrophthalate Dimethyl 3-acetoxy-5-methyl-4-nitro-benzene-1,2-dicarboxylate Dimethyl 3-acetyloxy-5-methyl-4-nitro-benzene-1,2-dicarboxylate
Wiley ID 1484483