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N-(1-Phenylthiocarbonyl-1-methylethyl)-2,2-diethylmalonamide
SpectraBase Compound ID D9JixQcrJTL
InChI InChI=1S/C17H24N2O3S/c1-5-17(6-2,13(18)20)14(21)19-16(3,4)15(22)23-12-10-8-7-9-11-12/h7-11H,5-6H2,1-4H3,(H2,18,20)(H,19,21)
InChIKey PIEOFTLJMGBKTK-UHFFFAOYSA-N
Mol Weight 336.45 g/mol
Molecular Formula C17H24N2O3S
Exact Mass 336.150764 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LKb8rp0622Z
Name Propanethioic acid, 2-[[2-(aminocarbonyl)-2-ethyl-1-oxobutyl]amino]-2-methyl-, S-phenyl ester
CAS Registry Number 77919-11-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24N2O3S
InChI InChI=1S/C17H24N2O3S/c1-5-17(6-2,13(18)20)14(21)19-16(3,4)15(22)23-12-10-8-7-9-11-12/h7-11H,5-6H2,1-4H3,(H2,18,20)(H,19,21)
InChIKey PIEOFTLJMGBKTK-UHFFFAOYSA-N
Molecular Weight 336.450 g/mol
SMILES N(C(C(C(=O)N)(CC)CC)=O)C(C(Sc1ccccc1)=O)(C)C
SPLASH splash10-0a4i-9310000000-2d66af59556b86b3ae36
Source of Spectrum H-68-472-9
Synonyms N-(1-phenylthiocarbonyl-1-methylathyl)-2,2-diathylmalonamid S-phenyl 2-{[2-(aminocarbonyl)-2-ethylbutanoyl]amino}-2-methylpropanethioate
Wiley ID 1332250