| SpectraBase Spectrum ID |
7B0e3QdZhUz |
| Name |
(3R,4R,5R)-4,5-Dimethyl-3-phenyl-4,5-dihydro-3H-2-benzazepine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
249.151749616 u |
| Formula |
C18H19N |
| InChI |
InChI=1S/C18H19N/c1-13-14(2)18(15-8-4-3-5-9-15)19-12-16-10-6-7-11-17(13)16/h3-14,18H,1-2H3/t13-,14-,18-/m1/s1 |
| InChIKey |
OKOPGKTXGKJQDY-HBUWYVDXSA-N |
| Molecular Weight |
249.357 g/mol |
| SMILES |
[C@@]1(N=CC=2C([C@@]([C@]1(C)[H])(C)[H])=CC=CC2)(C=1C=CC=CC1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.877872 |
