| SpectraBase Spectrum ID |
FJ6uMCiZ43f |
| Name |
2-Phenoxathiinacetic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
258.035065353 u |
| Formula |
C14H10O3S |
| InChI |
InChI=1S/C14H10O3S/c15-14(16)8-9-5-6-11-13(7-9)18-12-4-2-1-3-10(12)17-11/h1-7H,8H2,(H,15,16) |
| InChIKey |
GXNPLNNLRVWRHS-UHFFFAOYSA-N |
| Molecular Weight |
258.291 g/mol |
| SMILES |
C1=2SC3=C(OC2C=CC=C1)C=CC(=C3)CC(O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.892394 |
