SpectraBase Spectrum ID |
5OQPP5uludc |
Name |
(5R,10S)-12-Phenyl-10,11-dihydro-5H-5,10-epiminodibenzo[A,D][7]annulene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
283.136099551 u |
Formula |
C21H17N |
InChI |
InChI=1S/C21H17N/c1-2-9-16(10-3-1)22-20-14-15-8-4-5-11-17(15)21(22)19-13-7-6-12-18(19)20/h1-13,20-21H,14H2/t20-,21+/m0/s1 |
InChIKey |
NKZAQLVMEKCKTB-LEWJYISDSA-N |
Molecular Weight |
283.374 g/mol |
SMILES |
C12=C([C@@]3(C4=C([C@](C2)(N3C2=CC=CC=C2)[H])C=CC=C4)[H])C=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.916835 |