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o-Phenyl piperidine-1-carbothioate

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

o-Phenyl piperidine-1-carbothioate
SpectraBase Compound ID DjffV7NauXc
InChI InChI=1S/C12H15NOS/c15-12(13-9-5-2-6-10-13)14-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2
InChIKey TVWGACPYJWIWPY-UHFFFAOYSA-N
Mol Weight 221.32 g/mol
Molecular Formula C12H15NOS
Exact Mass 221.087435 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9FS4o1BjdRv
Name o-Phenyl piperidine-1-carbothioate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 221.087435280 u
Formula C12H15NOS
InChI InChI=1S/C12H15NOS/c15-12(13-9-5-2-6-10-13)14-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2
InChIKey TVWGACPYJWIWPY-UHFFFAOYSA-N
Molecular Weight 221.318 g/mol
SMILES C(N1CCCCC1)(OC=1C=CC=CC1)=S
Spectrum/Structure Validation Score (Vapor Phase IR) 0.921339