| SpectraBase Spectrum ID |
9n6EpuVcuVq |
| Name |
(3R,4S,5S)-5-Methyl-3-phenyl-4-propyl-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 |
277.183049745 u |
| Formula |
C20H23N |
| InChI |
InChI=1S/C20H23N/c1-3-9-19-15(2)18-13-8-7-12-17(18)14-21-20(19)16-10-5-4-6-11-16/h4-8,10-15,19-20H,3,9H2,1-2H3/t15-,19+,20+/m1/s1 |
| InChIKey |
XCNJNOOECXUHEI-XPGWFJOJSA-N |
| Molecular Weight |
277.411 g/mol |
| SMILES |
[C@@]1(N=CC=2C([C@]([C@@]1(CCC)[H])(C)[H])=CC=CC2)(C1=CC=CC=C1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965867 |
