| SpectraBase Spectrum ID |
Hsa20aQCiuS |
| Name |
2,4-Dicyclopropyl-2,7,8-trimethyl-2,3-dihydro-1H-1,5-benzodiazepine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
268.193948781 u |
| Formula |
C18H24N2 |
| InChI |
InChI=1S/C18H24N2/c1-11-8-15-16(9-12(11)2)20-18(3,14-6-7-14)10-17(19-15)13-4-5-13/h8-9,13-14,20H,4-7,10H2,1-3H3 |
| InChIKey |
FFKBZYYCFFEYOX-UHFFFAOYSA-N |
| Molecular Weight |
268.404 g/mol |
| SMILES |
C1(C)=C(C=C2C(NC(CC(=N2)C2CC2)(C)C2CC2)=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.825821 |
