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1-(4-Phenylsulfanylbutyl)piperidin-2-one

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

1-(4-Phenylsulfanylbutyl)piperidin-2-one
SpectraBase Compound ID IxPL8OJ6Tw
InChI InChI=1S/C15H21NOS/c17-15-10-4-5-11-16(15)12-6-7-13-18-14-8-2-1-3-9-14/h1-3,8-9H,4-7,10-13H2
InChIKey FXCLSBGWWMTTJX-UHFFFAOYSA-N
Mol Weight 263.4 g/mol
Molecular Formula C15H21NOS
Exact Mass 263.134385 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1mWOfomyTvf
Name 1-(4-Phenylsulfanylbutyl)piperidin-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 263.134385473 u
Formula C15H21NOS
InChI InChI=1S/C15H21NOS/c17-15-10-4-5-11-16(15)12-6-7-13-18-14-8-2-1-3-9-14/h1-3,8-9H,4-7,10-13H2
InChIKey FXCLSBGWWMTTJX-UHFFFAOYSA-N
Molecular Weight 263.399 g/mol
SMILES C1(N(CCCC1)CCCCSC=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.945075