| SpectraBase Spectrum ID |
A2GSlLSsZaN |
| Name |
1H-Pyrido[2,1-B]benzothiazole-4-carboxylic acid, 1-oxo-2-(phenylmethyl)-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
349.077264518 u |
| Formula |
C20H15NO3S |
| InChI |
InChI=1S/C20H15NO3S/c1-24-20(23)15-12-14(11-13-7-3-2-4-8-13)18(22)21-16-9-5-6-10-17(16)25-19(15)21/h2-10,12H,11H2,1H3 |
| InChIKey |
MJYNXINVRBZOMU-UHFFFAOYSA-N |
| Molecular Weight |
349.404 g/mol |
| SMILES |
C1=2N(C(=O)C(=CC2C(=O)OC)CC=2C=CC=CC2)C2=CC=CC=C2S1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947698 |
![1H-Pyrido[2,1-b]benzothiazole-4-carboxylic acid, 1-oxo-2-(phenylmethyl)-, methyl ester](/api/spectrum/A2GSlLSsZaN/structure.png?h=300&w=458 "1H-Pyrido[2,1-b]benzothiazole-4-carboxylic acid, 1-oxo-2-(phenylmethyl)-, methyl ester")
