| SpectraBase Spectrum ID |
2t4l5R1CyBa |
| Name |
(3S,11Br)-3-methyl-6-phenyl-1,2,3,11B-tetrahydropyrrolo[2,1-A][2]benzazepin-5-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
289.146664235 u |
| Formula |
C20H19NO |
| InChI |
InChI=1S/C20H19NO/c1-14-11-12-19-17-10-6-5-9-16(17)13-18(20(22)21(14)19)15-7-3-2-4-8-15/h2-10,13-14,19H,11-12H2,1H3/t14-,19+/m0/s1 |
| InChIKey |
PJDYEZHZBCSJBE-IFXJQAMLSA-N |
| SMILES |
C1(N2[C@@](C3=CC=CC=C3C=C1C=1C=CC=CC1)(CC[C@@]2(C)[H])[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951682 |
![(3S,11bR)-3-methyl-6-phenyl-1,2,3,11b-tetrahydropyrrolo[2,1-a][2]benzazepin-5-one](/api/spectrum/2t4l5R1CyBa/structure.png?h=300&w=458 "(3S,11bR)-3-methyl-6-phenyl-1,2,3,11b-tetrahydropyrrolo[2,1-a][2]benzazepin-5-one")
