| SpectraBase Spectrum ID |
1FSYqhCNrLD |
| Name |
(14Br)-2-[(1'S)-1-phenylethyl]-1,2,10,14B-tetrahydrodibenzo[C,F]pyrazino[1,2-A]azepine-3,4-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
382.168127954 u |
| Formula |
C25H22N2O2 |
| InChI |
InChI=1S/C25H22N2O2/c1-17(18-9-3-2-4-10-18)26-16-23-21-13-7-5-11-19(21)15-20-12-6-8-14-22(20)27(23)25(29)24(26)28/h2-14,17,23H,15-16H2,1H3/t17-,23-/m0/s1 |
| InChIKey |
KTEJHXISSSMZGA-SBUREZEXSA-N |
| Molecular Weight |
382.463 g/mol |
| SMILES |
C1(N2[C@@](CN(C1=O)[C@](C=1C=CC=CC1)(C)[H])(C=1C(=CC=CC1)CC=1C2=CC=CC1)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.807852 |
![(14bR)-2-[(1'S)-1-Phenylethyl]-1,2,10,14b-tetrahydrodibenzo[c,f]pyrazino[1,2-a]azepine-3,4-dione](/api/spectrum/1FSYqhCNrLD/structure.png?h=300&w=458 "(14bR)-2-[(1'S)-1-Phenylethyl]-1,2,10,14b-tetrahydrodibenzo[c,f]pyrazino[1,2-a]azepine-3,4-dione")
