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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 52RW8Cn7r26
Name 3-PHENYLTHIOPROPIONIC ACID, S-BENZYL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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 256.0918
SMILES c1(CCC(SCc2ccccc2)=O)ccccc1
SPLASH splash10-0a4l-9810000000-b19a3356943dabc0ca66
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany