| SpectraBase Spectrum ID |
9qW2zFHnEd1 |
| Name |
2-Phenoxathiinaceteamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
257.051049770 u |
| Formula |
C14H11NO2S |
| InChI |
InChI=1S/C14H11NO2S/c15-14(16)8-9-5-6-11-13(7-9)18-12-4-2-1-3-10(12)17-11/h1-7H,8H2,(H2,15,16) |
| InChIKey |
YUOPNFSVWSDFIG-UHFFFAOYSA-N |
| Molecular Weight |
257.307 g/mol |
| SMILES |
C(N)(=O)CC1=CC=C2C(=C1)SC1=C(O2)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.919042 |
