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11-Bromo-5-amino-3-oxa-1(1,4),4(1,4)-dibenzapentaphane

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

11-Bromo-5-amino-3-oxa-1(1,4),4(1,4)-dibenzapentaphane
SpectraBase Compound ID 9RjDXdfEJVv
InChI InChI=1S/C14H14BrNO/c15-13-5-1-12(2-6-13)10-17-14-7-3-11(9-16)4-8-14/h1-8H,9-10,16H2
InChIKey GKDCPEPOVYZUBL-UHFFFAOYSA-N
Mol Weight 292.18 g/mol
Molecular Formula C14H14BrNO
Exact Mass 291.025877 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8nSRPzoIIpu
Name 11-Bromo-5-amino-3-oxa-1(1,4),4(1,4)-dibenzapentaphane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 291.025877074 u
Formula C14H14BrNO
InChI InChI=1S/C14H14BrNO/c15-13-5-1-12(2-6-13)10-17-14-7-3-11(9-16)4-8-14/h1-8H,9-10,16H2
InChIKey GKDCPEPOVYZUBL-UHFFFAOYSA-N
Molecular Weight 292.176 g/mol
SMILES C1(OCC2=CC=C(C=C2)Br)=CC=C(C=C1)CN
Spectrum/Structure Validation Score (Vapor Phase IR) 0.900393