| SpectraBase Spectrum ID |
JlufFLPBSIr |
| Name |
3(2H)-Benzothiazoleacetic acid, 2-oxo-, phenylmethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
299.061614454 u |
| Formula |
C16H13NO3S |
| InChI |
InChI=1S/C16H13NO3S/c18-15(20-11-12-6-2-1-3-7-12)10-17-13-8-4-5-9-14(13)21-16(17)19/h1-9H,10-11H2 |
| InChIKey |
XXQSRUYGHFZBEY-UHFFFAOYSA-N |
| Molecular Weight |
299.344 g/mol |
| SMILES |
C=1C=CC(COC(CN2C(SC3=C2C=CC=C3)=O)=O)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.89494 |
