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N-Benzyl-2-azatetracyclo[8,4.0.0(3,9).0(4,8)]tetradeca-1(10),11,13-triene isomer

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

N-Benzyl-2-azatetracyclo[8,4.0.0(3,9).0(4,8)]tetradeca-1(10),11,13-triene isomer
SpectraBase Compound ID 2wZLA8EbHEY
InChI InChI=1S/C20H21N/c1-2-7-14(8-3-1)13-21-18-12-5-4-9-17(18)19-15-10-6-11-16(15)20(19)21/h1-5,7-9,12,15-16,19-20H,6,10-11,13H2
InChIKey RGMDPSZBRTUONY-UHFFFAOYSA-N
Mol Weight 275.39 g/mol
Molecular Formula C20H21N
Exact Mass 275.1674 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KBMBR3ruIDy
Name N-Benzyl-2-azatetracyclo[8,4.0.0(3,9).0(4,8)]tetradeca-1(10),11,13-triene isomer
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 275.167399680 u
Formula C20H21N
InChI InChI=1S/C20H21N/c1-2-7-14(8-3-1)13-21-18-12-5-4-9-17(18)19-15-10-6-11-16(15)20(19)21/h1-5,7-9,12,15-16,19-20H,6,10-11,13H2
InChIKey RGMDPSZBRTUONY-UHFFFAOYSA-N
SMILES C12N(C3=C(C2C2C1CCC2)C=CC=C3)CC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.855793