| SpectraBase Spectrum ID |
IzMk6jQkYPw |
| Name |
2-Acetoxy-6-methoxy-2-(phenylthio)-benzofuran-3(2H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
330.056194720 u |
| Formula |
C17H14O5S |
| InChI |
InChI=1S/C17H14O5S/c1-11(18)21-17(23-13-6-4-3-5-7-13)16(19)14-9-8-12(20-2)10-15(14)22-17/h3-10H,1-2H3 |
| InChIKey |
YLHDBVAYEOYCSX-UHFFFAOYSA-N |
| Molecular Weight |
330.354 g/mol |
| SMILES |
C=1(SC2(C(=O)C3=CC=C(OC)C=C3O2)OC(=O)C)C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.832993 |
