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L-Valine, N-[cyano(1,3-dihydro-1,3-dioxo-2H-inden-2-ylidene)methyl]-
SpectraBase Compound ID 466BV1roA95
InChI InChI=1S/C16H14N2O4/c1-8(2)13(16(21)22)18-11(7-17)12-14(19)9-5-3-4-6-10(9)15(12)20/h3-6,8,13,18H,1-2H3,(H,21,22)/t13-/m0/s1
InChIKey MQNCHEKGGPSXSU-ZDUSSCGKSA-N
Mol Weight 298.3 g/mol
Molecular Formula C16H14N2O4
Exact Mass 298.095357 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FlvdADR8Niw
Name L-Valine, N-[cyano(1,3-dihydro-1,3-dioxo-2H-inden-2-ylidene)methyl]-
CAS Registry Number 117457-11-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14N2O4
InChI InChI=1S/C16H14N2O4/c1-8(2)13(16(21)22)18-11(7-17)12-14(19)9-5-3-4-6-10(9)15(12)20/h3-6,8,13,18H,1-2H3,(H,21,22)/t13-/m0/s1
InChIKey MQNCHEKGGPSXSU-ZDUSSCGKSA-N
Molecular Weight 298.298 g/mol
SMILES N(C(=C1C(c2ccccc2C1=O)=O)C#N)[C@](C(=O)O)(C(C)C)[H]
SPLASH splash10-01ox-4090000000-c26316a12345c9d08728
Source of Spectrum KC-1988-543-5
Synonyms (2S)-2-{[cyano(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]amino}-3-methylbutanoic acid 2-(1'-Cyano-1'-(1''-hydroxycarbonylbutylamino-methylene)-1,3-dioxoindane
Wiley ID 1300820