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Dibenzocentro-hexaquinane

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

Dibenzocentro-hexaquinane
SpectraBase Compound ID 7moGmEreBPC
InChI InChI=1S/C25H24/c1-3-7-19-17(5-1)22-12-9-21-10-13-23(15-14-22)18-6-2-4-8-20(18)24(19,16-11-21)25(21,22)23/h1-8H,9-16H2/t21?,22-,23+,24-,25+
InChIKey MJTROZCODSFHIN-NZSVOSDMSA-N
Mol Weight 324.47 g/mol
Molecular Formula C25H24
Exact Mass 324.187801 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 55zdJm2DRFh
Name Dibenzocentro-hexaquinane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 324.187800773 u
Formula C25H24
InChI InChI=1S/C25H24/c1-3-7-19-17(5-1)22-12-9-21-10-13-23(15-14-22)18-6-2-4-8-20(18)24(19,16-11-21)25(21,22)23/h1-8H,9-16H2/t21?,22-,23+,24-,25+
InChIKey MJTROZCODSFHIN-NZSVOSDMSA-N
Molecular Weight 324.467 g/mol
SMILES [C@]123[C@@]45C=6C=CC=CC6[C@@]33CC[C@]1(C=1C=CC=CC51)CCC2(CC3)CC4
Spectrum/Structure Validation Score (Vapor Phase IR) 0.886053