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3-Phenylthio-2H-chromen-2-one

View entire compound with spectra: 1 FTIR

3-Phenylthio-2H-chromen-2-one
SpectraBase Compound ID IUmmL3CsRv1
InChI InChI=1S/C15H10O2S/c16-15-14(18-12-7-2-1-3-8-12)10-11-6-4-5-9-13(11)17-15/h1-10H
InChIKey PVAOVQZZYZNKQP-UHFFFAOYSA-N
Mol Weight 254.3 g/mol
Molecular Formula C15H10O2S
Exact Mass 254.040151 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6kuxuyidlxN
Name 3-Phenylthio-2H-chromen-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 254.040150734 u
Formula C15H10O2S
InChI InChI=1S/C15H10O2S/c16-15-14(18-12-7-2-1-3-8-12)10-11-6-4-5-9-13(11)17-15/h1-10H
InChIKey PVAOVQZZYZNKQP-UHFFFAOYSA-N
Molecular Weight 254.303 g/mol
SMILES C12=C(OC(C(=C2)SC2=CC=CC=C2)=O)C=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.946743