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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 FbWqkaRju0H
Name 3-ACETOXY-5-METHYL-4-NITROPHTHALIC ACID, DIMETHYL ESTER
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. 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 311.0637
SMILES c1(C(OC)=O)cc(C)c(N(=O)=O)c(OC(=O)C)c1C(OC)=O
SPLASH splash10-000l-9580000000-f9b52a1ac15e2e312c50
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany