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2,5-Dimethoxyphenyl-2,3-dihydrothiophene
SpectraBase Compound ID 7YWhT7scm8u
InChI InChI=1S/C12H14O2S/c1-13-9-5-6-11(14-2)10(8-9)12-4-3-7-15-12/h3,5-8,12H,4H2,1-2H3
InChIKey VKFRFEAWAMGALG-UHFFFAOYSA-N
Mol Weight 222.3 g/mol
Molecular Formula C12H14O2S
Exact Mass 222.071451 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4lx9BFxny8R
Name 2,5-Dimethoxyphenyl-2,3-dihydrothiophene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.071450863 u
Formula C12H14O2S
InChI InChI=1S/C12H14O2S/c1-13-9-5-6-11(14-2)10(8-9)12-4-3-7-15-12/h3,5-8,12H,4H2,1-2H3
InChIKey VKFRFEAWAMGALG-UHFFFAOYSA-N
Molecular Weight 222.302 g/mol
SMILES C=1(C(=CC=C(C1)OC)OC)C1SC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.938468