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 |