| SpectraBase Spectrum ID |
2TV5clsjnBC |
| Name |
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 |
282.173213335 u |
| Formula |
C18H22N2O |
| InChI |
InChI=1S/C18H22N2O/c1-12-10-17-18(11-13(12)2)20-16(8-9-19-17)14-4-6-15(21-3)7-5-14/h4-7,10-11,16,19-20H,8-9H2,1-3H3 |
| InChIKey |
RNNXALKOOJQVNX-UHFFFAOYSA-N |
| Molecular Weight |
282.387 g/mol |
| SMILES |
N1CCC(NC2=C1C=C(C(=C2)C)C)C=1C=CC(=CC1)OC |
| Spectrum/Structure Validation Score (Raman) |
0.983487 |
