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3-Phenylthiopropionic acid, S-benzyl ester
SpectraBase Compound ID 6Zc9KScUd4l
InChI InChI=1S/C16H16OS/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15/h1-10H,11-13H2
InChIKey DTXDHGPVHSQLSP-UHFFFAOYSA-N
Mol Weight 256.36 g/mol
Molecular Formula C16H16OS
Exact Mass 256.092186 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4kAVtkgXZIo
Name 3-Phenylthiopropionic acid, S-benzyl ester
Alternate Name(s) 3-Phenylpropanethioic acid S-(phenylmethyl) ester 3-Phenylpropanethioic acid S-benzyl ester S-(phenylmethyl) 3-phenylpropanethioate S-Benzyl 3-phenylpropanethioate
CAS Registry Number 133535-77-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16OS
InChI InChI=1S/C16H16OS/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15/h1-10H,11-13H2
InChIKey DTXDHGPVHSQLSP-UHFFFAOYSA-N
Molecular Weight 256.363 g/mol
SMILES C(=O)(CCc1ccccc1)SCc1ccccc1
SPLASH splash10-0a4l-9810000000-1440cc375148e477a4be
Wiley ID 1482124