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Valine, 2-cyano-3-methyl-N-(2,4,6-trimethylbenzoyl)-, methyl ester
SpectraBase Compound ID LbABJE2Jgpy
InChI InChI=1S/C18H24N2O3/c1-11-8-12(2)14(13(3)9-11)15(21)20-18(10-19,16(22)23-7)17(4,5)6/h8-9H,1-7H3,(H,20,21)
InChIKey FVSUHIAFLXHLQT-UHFFFAOYSA-N
Mol Weight 316.4 g/mol
Molecular Formula C18H24N2O3
Exact Mass 316.178693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AZpO4Zap09T
Name Valine, 2-cyano-3-methyl-N-(2,4,6-trimethylbenzoyl)-, methyl ester
CAS Registry Number 86951-76-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24N2O3
InChI InChI=1S/C18H24N2O3/c1-11-8-12(2)14(13(3)9-11)15(21)20-18(10-19,16(22)23-7)17(4,5)6/h8-9H,1-7H3,(H,20,21)
InChIKey FVSUHIAFLXHLQT-UHFFFAOYSA-N
Molecular Weight 316.401 g/mol
SMILES N(C(c1c(cc(cc1C)C)C)=O)C(C(=O)OC)(C#N)C(C)(C)C
SPLASH splash10-0002-0910000000-8ee187a09b747292ee3a
Source of Spectrum KC-1983-982-0
Synonyms Methyl 2-cyano-2-[(mesitylcarbonyl)amino]-3,3-dimethylbutanoate Methyl-2-cyano-3,3-dimethyl-2-(2,4,6-trimethylbenzoylamino)butanoate
Wiley ID 1316844