| SpectraBase Spectrum ID |
FU06pbfjZjy |
| Name |
(2R,3S)-1-Benzoyl-2-phenyl-3-tolyl-2,3-dihydroazepine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
365.177964364 u |
| Formula |
C26H23NO |
| InChI |
InChI=1S/C26H23NO/c1-20-15-17-21(18-16-20)24-14-8-9-19-27(25(24)22-10-4-2-5-11-22)26(28)23-12-6-3-7-13-23/h2-19,24-25H,1H3/t24-,25-/m0/s1 |
| InChIKey |
UOUZKZWOPRCVTJ-DQEYMECFSA-N |
| Molecular Weight |
365.476 g/mol |
| SMILES |
C(N1[C@]([C@](C=2C=CC(=CC2)C)(C=CC=C1)[H])(C=1C=CC=CC1)[H])(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.920512 |
