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(5R,10S)-12-Phenyl-10,11-dihydro-5H-5,10-epiminodibenzo[A,D][7]annulene
SpectraBase Compound ID 7b5qWLusLeR
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
Mol Weight 283.37 g/mol
Molecular Formula C21H17N
Exact Mass 283.1361 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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