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(1R,2S)-1,2-diphenyl-2-piperidin-1-yl-ethanethiol

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

(1R,2S)-1,2-diphenyl-2-piperidin-1-yl-ethanethiol
SpectraBase Compound ID FBnhEv4lRN
InChI InChI=1S/C19H23NS/c21-19(17-12-6-2-7-13-17)18(16-10-4-1-5-11-16)20-14-8-3-9-15-20/h1-2,4-7,10-13,18-19,21H,3,8-9,14-15H2/t18-,19+/m0/s1
InChIKey HCOPWWKHYWKGSV-RBUKOAKNSA-N
Mol Weight 297.46 g/mol
Molecular Formula C19H23NS
Exact Mass 297.155121 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID A4tzXo3TtrB
Name (1R,2S)-1,2-Diphenyl-2-piperidin-1-yl-ethanethiol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 297.155120919 u
Formula C19H23NS
InChI InChI=1S/C19H23NS/c21-19(17-12-6-2-7-13-17)18(16-10-4-1-5-11-16)20-14-8-3-9-15-20/h1-2,4-7,10-13,18-19,21H,3,8-9,14-15H2/t18-,19+/m0/s1
InChIKey HCOPWWKHYWKGSV-RBUKOAKNSA-N
Molecular Weight 297.460 g/mol
SMILES [C@](N1CCCCC1)([C@@](C1=CC=CC=C1)(S)[H])(C1=CC=CC=C1)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.833053