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(Z)-3-(4-methoxybenzylidene)dihydro-2H-thiopyran-4(3H)-one

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

(Z)-3-(4-methoxybenzylidene)dihydro-2H-thiopyran-4(3H)-one
SpectraBase Compound ID 7eF0TKlucfb
InChI InChI=1S/C13H14O2S/c1-15-12-4-2-10(3-5-12)8-11-9-16-7-6-13(11)14/h2-5,8H,6-7,9H2,1H3/b11-8+
InChIKey YVHOYJGDHHCIOB-DHZHZOJOSA-N
Mol Weight 234.31 g/mol
Molecular Formula C13H14O2S
Exact Mass 234.071451 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LPawHPGzdz0
Name (Z)-3-(4-Methoxybenzylidene)dihydro-2H-thiopyran-4(3H)-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 234.071450863 u
Formula C13H14O2S
InChI InChI=1S/C13H14O2S/c1-15-12-4-2-10(3-5-12)8-11-9-16-7-6-13(11)14/h2-5,8H,6-7,9H2,1H3/b11-8+
InChIKey YVHOYJGDHHCIOB-DHZHZOJOSA-N
Molecular Weight 234.313 g/mol
SMILES C1C(\C(CSC1)=C\C1=CC=C(C=C1)OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.954417