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(Z)-methyl 4-((4-oxo-2H-thiopyran-3 (4H,5H,6H) -ylidene) methyl) benzoate

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

(Z)-methyl 4-((4-oxo-2H-thiopyran-3 (4H,5H,6H) -ylidene) methyl) benzoate
SpectraBase Compound ID LbADrkMWYoP
InChI InChI=1S/C14H14O3S/c1-17-14(16)11-4-2-10(3-5-11)8-12-9-18-7-6-13(12)15/h2-5,8H,6-7,9H2,1H3/b12-8+
InChIKey CNCKJORSRQWETL-XYOKQWHBSA-N
Mol Weight 262.32 g/mol
Molecular Formula C14H14O3S
Exact Mass 262.066365 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IIkaugrsi1K
Name (Z)-Methyl 4-((4-oxo-2H-thiopyran-3 (4H,5H,6H) -ylidene) methyl) benzoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 262.066365482 u
Formula C14H14O3S
InChI InChI=1S/C14H14O3S/c1-17-14(16)11-4-2-10(3-5-11)8-12-9-18-7-6-13(12)15/h2-5,8H,6-7,9H2,1H3/b12-8+
InChIKey CNCKJORSRQWETL-XYOKQWHBSA-N
SMILES C1CSC\C(C1=O)=C/C1=CC=C(C=C1)C(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.938742