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(Phenylthiocarbamoyl)-L-Valine
SpectraBase Compound ID 972fgGrry3t
InChI InChI=1S/C12H16N2O2S/c1-8(2)10(11(15)16)14-12(17)13-9-6-4-3-5-7-9/h3-8,10H,1-2H3,(H,15,16)(H2,13,14,17)/t10-/m0/s1
InChIKey SHPIPEIGMKCMEE-JTQLQIEISA-N
Mol Weight 252.33 g/mol
Molecular Formula C12H16N2O2S
Exact Mass 252.093249 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L1KQiqeqSkw
Name (Phenylthiocarbamoyl)-L-Valine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16N2O2S
InChI InChI=1S/C12H16N2O2S/c1-8(2)10(11(15)16)14-12(17)13-9-6-4-3-5-7-9/h3-8,10H,1-2H3,(H,15,16)(H2,13,14,17)/t10-/m0/s1
InChIKey SHPIPEIGMKCMEE-JTQLQIEISA-N
Molecular Weight 252.332 g/mol
SMILES N(C(Nc1ccccc1)=S)[C@](C(=O)O)(C(C)C)[H]
SPLASH splash10-0a4i-0910000000-d21f7e69757e83b9189c
Source of Spectrum CRT-15-574-2
Synonyms N(1)-Phenyl-N(2)-[1'-(hydroxycarbonyl)-2'-methylpropyl]-thiourea PTC-Val (2S)-2-[[anilino(sulfanylidene)methyl]amino]-3-methylbutanoic acid (2S)-3-methyl-2-(phenylcarbamothioylamino)butanoic acid
Wiley ID 1709952