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2-(benzyloxycarbonylamino)-4-nitro-glutaric acid dimethyl ester
SpectraBase Compound ID JUmF7hCymtR
InChI InChI=1S/C15H18N2O8/c1-23-13(18)11(8-12(17(21)22)14(19)24-2)16-15(20)25-9-10-6-4-3-5-7-10/h3-7,11-12H,8-9H2,1-2H3,(H,16,20)/t11-,12?/m0/s1
InChIKey SXDGGAYJBGZZOH-PXYINDEMSA-N
Mol Weight 354.32 g/mol
Molecular Formula C15H18N2O8
Exact Mass 354.106316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9eDJbDddTPk
Name 2-(benzyloxycarbonylamino)-4-nitro-glutaric acid dimethyl ester
Alternate Name(s) 2-Nitro-4-(phenylmethoxycarbonylamino)pentanedioic acid dimethyl ester Dimethyl 2-nitro-4-(phenylmethoxycarbonylamino)pentanedioate
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Formula C15H18N2O8
InChI InChI=1S/C15H18N2O8/c1-23-13(18)11(8-12(17(21)22)14(19)24-2)16-15(20)25-9-10-6-4-3-5-7-10/h3-7,11-12H,8-9H2,1-2H3,(H,16,20)/t11-,12?/m0/s1
InChIKey SXDGGAYJBGZZOH-PXYINDEMSA-N
Molecular Weight 354.315 g/mol
SMILES N(C(=O)OCc1ccccc1)[C@@](CC(N(=O)=O)C(=O)OC)(C(=O)OC)[H]
SPLASH splash10-0006-9310000000-cd789a8b0deb9f57e501
Source of Spectrum KC-0-1120-20
Wiley ID 824662