SpectraBase Spectrum ID |
AmE3ljPYjyA |
Name |
Dihydrobenzofuran-2-one, 3-[2-methiophenyl]methylene- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
268.055800798 u |
Formula |
C16H12O2S |
InChI |
InChI=1S/C16H12O2S/c1-19-15-9-5-2-6-11(15)10-13-12-7-3-4-8-14(12)18-16(13)17/h2-10H,1H3/b13-10+ |
InChIKey |
ZPSLROVBCFUYKU-JLHYYAGUSA-N |
SMILES |
C1(=C(C=CC=C1)SC)\C=C/1C=2C=CC=CC2OC1=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.886151 |