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3-(1-Piperidinyl)-1-benzothiopyran-4-one

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

3-(1-Piperidinyl)-1-benzothiopyran-4-one
SpectraBase Compound ID BpSDt2Xnwp1
InChI InChI=1S/C14H15NOS/c16-14-11-6-2-3-7-13(11)17-10-12(14)15-8-4-1-5-9-15/h2-3,6-7,10H,1,4-5,8-9H2
InChIKey JZIGOSGKAQJDFZ-UHFFFAOYSA-N
Mol Weight 245.34 g/mol
Molecular Formula C14H15NOS
Exact Mass 245.087435 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9bImKlrwKvl
Name 3-(1-Piperidinyl)-1-benzothiopyran-4-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 245.087435280 u
Formula C14H15NOS
InChI InChI=1S/C14H15NOS/c16-14-11-6-2-3-7-13(11)17-10-12(14)15-8-4-1-5-9-15/h2-3,6-7,10H,1,4-5,8-9H2
InChIKey JZIGOSGKAQJDFZ-UHFFFAOYSA-N
Molecular Weight 245.340 g/mol
SMILES C=1(C(C2=CC=CC=C2SC1)=O)N1CCCCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.826207