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(3-(acetylthio)-2-benzylpropanoyl)glycine
SpectraBase Compound ID 6KtcXfNVDzx
InChI InChI=1S/C14H17NO4S/c1-10(16)20-9-12(14(19)15-8-13(17)18)7-11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3,(H,15,19)(H,17,18)
InChIKey DCMKACHZOPSUHN-UHFFFAOYSA-N
Mol Weight 295.35 g/mol
Molecular Formula C14H17NO4S
Exact Mass 295.087829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4TCUvpAy6F3
Name (3-(acetylthio)-2-benzylpropanoyl)glycine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17NO4S
InChI InChI=1S/C14H17NO4S/c1-10(16)20-9-12(14(19)15-8-13(17)18)7-11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3,(H,15,19)(H,17,18)
InChIKey DCMKACHZOPSUHN-UHFFFAOYSA-N
Literature Reference DOI 10.1016/j.jpba.2016.05.008
Molecular Weight 295.353 g/mol
SMILES N(C(C(CSC(C)=O)Cc1ccccc1)=O)CC(O)=O
SPLASH splash10-00os-3920000000-b9656de45a55c3e003b2
Source of Spectrum Vishnuvardhan Chiguru, et al. Journal of Pharmaceutical and Biomedical Analysis, doi:10.1016/j.jpba.2016.05.008
Wiley ID 1816032