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2-(hydroxymethyl)-N-(2-phenylethyl)-1-piperidinecarbothioamide

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

2-(hydroxymethyl)-N-(2-phenylethyl)-1-piperidinecarbothioamide
SpectraBase Compound ID Eh3QCAAp9sy
InChI InChI=1S/C15H22N2OS/c18-12-14-8-4-5-11-17(14)15(19)16-10-9-13-6-2-1-3-7-13/h1-3,6-7,14,18H,4-5,8-12H2,(H,16,19)
InChIKey MPWVVYDVDVHOKA-UHFFFAOYSA-N
Mol Weight 278.41 g/mol
Molecular Formula C15H22N2OS
Exact Mass 278.145285 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BcEx88ROnF2
Name 2-(Hydroxymethyl)-N-(2-phenylethyl)-1-piperidinecarbothioamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 278.145284509 u
Formula C15H22N2OS
InChI InChI=1S/C15H22N2OS/c18-12-14-8-4-5-11-17(14)15(19)16-10-9-13-6-2-1-3-7-13/h1-3,6-7,14,18H,4-5,8-12H2,(H,16,19)
InChIKey MPWVVYDVDVHOKA-UHFFFAOYSA-N
SMILES C=1C=CC(CCNC(N2C(CO)CCCC2)=S)=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.877471