| SpectraBase Spectrum ID |
ImJcl97BGXb |
| Name |
Talopram, N-acetyl |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
337.204179111 u |
| Formula |
C22H27NO2 |
| InChI |
InChI=1S/C22H27NO2/c1-17(24)23(4)16-10-15-22(18-11-6-5-7-12-18)20-14-9-8-13-19(20)21(2,3)25-22/h5-9,11-14H,10,15-16H2,1-4H3 |
| InChIKey |
RQJIOHIOGZNMBP-UHFFFAOYSA-N |
| Molecular Weight |
337.463 g/mol |
| SMILES |
C1(C2=C(C(C)(C)O1)C=CC=C2)(CCCN(C)C(=O)C)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.81513 |
