| SpectraBase Spectrum ID |
5W0cW4Kpv7f |
| Name |
1,5-Diacetyl-7,8-dimethyl-2-(p-methoxyphenyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
366.194342702 u |
| Formula |
C22H26N2O3 |
| InChI |
InChI=1S/C22H26N2O3/c1-14-12-21-22(13-15(14)2)24(17(4)26)20(10-11-23(21)16(3)25)18-6-8-19(27-5)9-7-18/h6-9,12-13,20H,10-11H2,1-5H3 |
| InChIKey |
OVSYZRHIENXVRG-UHFFFAOYSA-N |
| Molecular Weight |
366.461 g/mol |
| SMILES |
CC(N1C(CCN(C2=C1C=C(C(=C2)C)C)C(C)=O)C=1C=CC(=CC1)OC)=O |
| Spectrum/Structure Validation Score (Raman) |
0.970924 |
