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3-Ethoxy-2-methyl-3-oxopropyl 3,5-dinitrobenzoate
SpectraBase Compound ID 6bqrRWD5Fbi
InChI InChI=1S/C13H14N2O8/c1-3-22-12(16)8(2)7-23-13(17)9-4-10(14(18)19)6-11(5-9)15(20)21/h4-6,8H,3,7H2,1-2H3
InChIKey YDPJPKUAMFPKMR-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 5AT2ib78ZE2
Name 3-Ethoxy-2-methyl-3-oxopropyl 3,5-dinitrobenzoate
Alternate Name(s) (3-ethoxy-2-methyl-3-oxidanylidene-propyl) 3,5-dinitrobenzoate 3,5-Dinitrobenzoic acid (3-ethoxy-2-methyl-3-oxopropyl) ester 3,5-Dinitrobenzoic acid (3-ethoxy-3-keto-2-methyl-propyl) ester Propanoic acid, 3-[(3,5-dinitrobenzoyl)oxy]-2-methyl-, ethyl ester, (R)- (3-ethoxy-2-methyl-3-oxopropyl) 3,5-dinitrobenzoate
CAS Registry Number 87884-37-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14N2O8
InChI InChI=1S/C13H14N2O8/c1-3-22-12(16)8(2)7-23-13(17)9-4-10(14(18)19)6-11(5-9)15(20)21/h4-6,8H,3,7H2,1-2H3
InChIKey YDPJPKUAMFPKMR-UHFFFAOYSA-N
Molecular Weight 326.261 g/mol
SMILES c1(N(=O)=O)cc(cc(c1)N(=O)=O)C(=O)OCC(C)C(=O)OCC
SPLASH splash10-002b-9720000000-9536d405315948caf4c0
Wiley ID 1485838