| SpectraBase Spectrum ID |
7cGdBCDh3Xu |
| Name |
3-Ethyl-2-(4-methoxybenzoylimino)-1,3-benzothiazoline |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
312.093248935 u |
| Formula |
C17H16N2O2S |
| InChI |
InChI=1S/C17H16N2O2S/c1-3-19-14-6-4-5-7-15(14)22-17(19)18-16(20)12-8-10-13(21-2)11-9-12/h4-11H,3H2,1-2H3/b18-17- |
| InChIKey |
OHMNCRAYWDRIHW-ZCXUNETKSA-N |
| Molecular Weight |
312.387 g/mol |
| SMILES |
C=12N(\C(SC2=CC=CC1)=N/C(C=1C=CC(=CC1)OC)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.863848 |