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2,3-Dihydro-6-(2'-pyridyl)-2-phenylthiopyran-4-one

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

2,3-Dihydro-6-(2'-pyridyl)-2-phenylthiopyran-4-one
SpectraBase Compound ID EevP9B8tgeV
InChI InChI=1S/C16H13NOS/c18-13-10-15(12-6-2-1-3-7-12)19-16(11-13)14-8-4-5-9-17-14/h1-9,11,15H,10H2
InChIKey HZEZQNLHQFCRLF-UHFFFAOYSA-N
Mol Weight 267.35 g/mol
Molecular Formula C16H13NOS
Exact Mass 267.071785 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2HLIB1kq45l
Name 2,3-Dihydro-6-(2'-pyridyl)-2-phenylthiopyran-4-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 267.071785216 u
Formula C16H13NOS
InChI InChI=1S/C16H13NOS/c18-13-10-15(12-6-2-1-3-7-12)19-16(11-13)14-8-4-5-9-17-14/h1-9,11,15H,10H2
InChIKey HZEZQNLHQFCRLF-UHFFFAOYSA-N
Molecular Weight 267.346 g/mol
SMILES C=1(SC(C=2C=CC=CC2)CC(C1)=O)C1=NC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.913803