| SpectraBase Spectrum ID |
FIGkPC4oi6 |
| Name |
(E)-2-Phenylthiomethylene-3(2H)-benzofuranone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
254.040150734 u |
| Formula |
C15H10O2S |
| InChI |
InChI=1S/C15H10O2S/c16-15-12-8-4-5-9-13(12)17-14(15)10-18-11-6-2-1-3-7-11/h1-10H/b14-10+ |
| InChIKey |
JYYTZNLUPFSSRA-GXDHUFHOSA-N |
| Molecular Weight |
254.303 g/mol |
| SMILES |
C=1C=C2C(\C(=C/SC3=CC=CC=C3)OC2=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.90369 |
