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L-Aspartic acid, N-[cyano(1,3-dihydro-1,3-dioxo-2H-inden-2-ylidene)methyl]-, dimethyl ester
SpectraBase Compound ID 52XW6YwQdxm
InChI InChI=1S/C17H14N2O6/c1-24-13(20)7-11(17(23)25-2)19-12(8-18)14-15(21)9-5-3-4-6-10(9)16(14)22/h3-6,11,19H,7H2,1-2H3/t11-/m0/s1
InChIKey VYLYUCKPMJGHCA-NSHDSACASA-N
Mol Weight 342.31 g/mol
Molecular Formula C17H14N2O6
Exact Mass 342.085186 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H0lORyh005r
Name L-Aspartic acid, N-[cyano(1,3-dihydro-1,3-dioxo-2H-inden-2-ylidene)methyl]-, dimethyl ester
Alternate Name(s) 2-(1'-Cyano-1'-(1'',2''-dimethoxycarbonylethylamino)-methylene)-1,3-dioxoindane Dimethyl (2S)-2-{[cyano(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]amino}butanedioate
CAS Registry Number 117457-16-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14N2O6
InChI InChI=1S/C17H14N2O6/c1-24-13(20)7-11(17(23)25-2)19-12(8-18)14-15(21)9-5-3-4-6-10(9)16(14)22/h3-6,11,19H,7H2,1-2H3/t11-/m0/s1
InChIKey VYLYUCKPMJGHCA-NSHDSACASA-N
Molecular Weight 342.307 g/mol
SMILES N(C(=C1C(c2ccccc2C1=O)=O)C#N)[C@@](CC(=O)OC)(C(=O)OC)[H]
SPLASH splash10-0udi-0092000000-cedc28ffc60ec57451ac
Source of Spectrum KC-1988-543-5
Wiley ID 1336372