For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
tert-Butyl (2S)-4.alpha.-(phenylmethyl)-5-thiopyrolinate
SpectraBase Compound ID AZKWCDCDIgU
InChI InChI=1S/C16H21NO2S/c1-16(2,3)19-15(18)13-10-12(14(20)17-13)9-11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3,(H,17,20)/t12-,13-/m0/s1
InChIKey JMAQTPBUUWBBAL-STQMWFEESA-N
Mol Weight 291.41 g/mol
Molecular Formula C16H21NO2S
Exact Mass 291.1293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID AncnA2ACBQt
Name tert-Butyl (2S)-4.alpha.-(phenylmethyl)-5-thiopyrolinate
CAS Registry Number 138858-48-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21NO2S
InChI InChI=1S/C16H21NO2S/c1-16(2,3)19-15(18)13-10-12(14(20)17-13)9-11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3,(H,17,20)/t12-,13-/m0/s1
InChIKey JMAQTPBUUWBBAL-STQMWFEESA-N
Molecular Weight 291.409 g/mol
SMILES N1[C@@](C[C@@](C1=S)(Cc1ccccc1)[H])(C(OC(C)(C)C)=O)[H]
SPLASH splash10-0006-5090000000-e3cd35391ae03dcd668c
Source of Spectrum J-57-1924-10
Synonyms tert-Butyl (2S,4S)-4-benzyl-5-thioxo-2-pyrrolidinecarboxylate
Wiley ID 1294537