| SpectraBase Spectrum ID |
GtECAH2qFsN |
| Name |
Ethyl clorazepate in kbr |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
360.087684731 u |
| Formula |
C18H17ClN2O4 |
| InChI |
InChI=1S/C18H17ClN2O4/c1-2-25-17(22)16-18(23,24)21-14-9-8-12(19)10-13(14)15(20-16)11-6-4-3-5-7-11/h3-10,16,21,23-24H,2H2,1H3 |
| InChIKey |
YRLWYCRBBFQKOK-UHFFFAOYSA-N |
| Molecular Weight |
360.797 g/mol |
| SMILES |
N1C(C(N=C(C2=CC(=CC=C12)Cl)C=1C=CC=CC1)C(=O)OCC)(O)O |
| Spectrum/Structure Validation Score (Raman) |
0.750869 |
