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2,4-Dinitrobenzoic acid, 2-ethoxycarbonyl-1-methylethyl ester
SpectraBase Compound ID 1ZSD99fNU4e
InChI InChI=1S/C13H14N2O8/c1-3-22-12(16)6-8(2)23-13(17)10-5-4-9(14(18)19)7-11(10)15(20)21/h4-5,7-8H,3,6H2,1-2H3
InChIKey WGKBFLVEYICCTB-UHFFFAOYSA-N
Mol Weight 326.26 g/mol
Molecular Formula C13H14N2O8
Exact Mass 326.075015 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FcGSfEbueLl
Name 2,4-DINITROBENZOIC ACID 2-ETHOXYCARBONYL-1-METHYLETHYL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H14N2O8
InChI InChI=1S/C13H14N2O8/c1-3-22-12(16)6-8(2)23-13(17)10-5-4-9(14(18)19)7-11(10)15(20)21/h4-5,7-8H,3,6H2,1-2H3
InChIKey WGKBFLVEYICCTB-UHFFFAOYSA-N
Molecular Weight 326.0746
SMILES c1(N(=O)=O)ccc(C(OC(CC(OCC)=O)C)=O)c(N(=O)=O)c1
SPLASH splash10-00kb-9600000000-5c19e1017430fab52ed9
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany