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Butanedioic acid, [(4-nitrobenzoyl)oxy]-, dimethyl ester, (S)-
SpectraBase Compound ID IhuNvTIDrWn
InChI InChI=1S/C13H13NO8/c1-20-11(15)7-10(13(17)21-2)22-12(16)8-3-5-9(6-4-8)14(18)19/h3-6,10H,7H2,1-2H3/t10-/m0/s1
InChIKey JGPMGAJXGCOWGH-JTQLQIEISA-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 KoNZ5UxMJgw
Name Butanedioic acid, [(4-nitrobenzoyl)oxy]-, dimethyl ester, (S)-
Alternate Name(s) Dimethyl (2S)-2-[(4-nitrobenzoyl)oxy]butanedioate Dimethyl 2-p-nitrobenzoyloxysuccinate
CAS Registry Number 71401-69-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13NO8
InChI InChI=1S/C13H13NO8/c1-20-11(15)7-10(13(17)21-2)22-12(16)8-3-5-9(6-4-8)14(18)19/h3-6,10H,7H2,1-2H3/t10-/m0/s1
InChIKey JGPMGAJXGCOWGH-JTQLQIEISA-N
Molecular Weight 311.246 g/mol
SMILES c1(N(=O)=O)ccc(C(O[C@@](CC(=O)OC)(C(=O)OC)[H])=O)cc1
SPLASH splash10-0udi-0910000000-f91b4f2b8c0922829e90
Source of Spectrum KC-1979-1157-0
Wiley ID 1312235