| SpectraBase Spectrum ID |
BBGY5dQ4mgR |
| Name |
1,3-Benzothiazole-3-acetic acid, 2,3-dihydro-2-oxo-, (2-methoxyphenyl)methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
329.072179137 u |
| Formula |
C17H15NO4S |
| InChI |
InChI=1S/C17H15NO4S/c1-21-14-8-4-2-6-12(14)11-22-16(19)10-18-13-7-3-5-9-15(13)23-17(18)20/h2-9H,10-11H2,1H3 |
| InChIKey |
KGXWQDWZICTCHE-UHFFFAOYSA-N |
| Molecular Weight |
329.370 g/mol |
| SMILES |
C1=CC=C(C(=C1)OC)COC(CN1C(SC=2C1=CC=CC2)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.880067 |
