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N-[(benzylamino)carbothioyl]alanine

View entire compound with spectra: 1 MS (GC)

N-[(benzylamino)carbothioyl]alanine
SpectraBase Compound ID HTiw0EIlT1L
InChI InChI=1S/C11H14N2O2S/c1-8(10(14)15)13-11(16)12-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,14,15)(H2,12,13,16)
InChIKey LTWRRHLHPLFMKB-UHFFFAOYSA-N
Mol Weight 238.3 g/mol
Molecular Formula C11H14N2O2S
Exact Mass 238.077599 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6VILICm7ZtG
Name N-[(benzylamino)carbothioyl]alanine
Alternate Name(s) Propionic acid, 2-(3-benzylthioureido)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14N2O2S
InChI InChI=1S/C11H14N2O2S/c1-8(10(14)15)13-11(16)12-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,14,15)(H2,12,13,16)
InChIKey LTWRRHLHPLFMKB-UHFFFAOYSA-N
Molecular Weight 238.305 g/mol
SMILES N(C(=S)NCc1ccccc1)C(C(=O)O)C
SPLASH splash10-0006-9110000000-8119ead4950e279c9fac
Wiley ID 1450344