| SpectraBase Spectrum ID |
65DMCcSJafm |
| Name |
Clobenzorex-m (ho-) isomer-1 2ac P1258 |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
359.128821269 u |
| Formula |
C20H22ClNO3 |
| InChI |
InChI=1S/C20H22ClNO3/c1-14(12-17-8-10-19(11-9-17)25-16(3)24)22(15(2)23)13-18-6-4-5-7-20(18)21/h4-11,14H,12-13H2,1-3H3 |
| InChIKey |
IMOPHWZODWHBHH-UHFFFAOYSA-N |
| Molecular Weight |
359.853 g/mol |
| SMILES |
C=1C=CC(CN(C(=O)C)C(CC=2C=CC(OC(=O)C)=CC2)C)=C(Cl)C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.863806 |
