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Bicyclo[4.2.0]octa-1,3,5-triene, 7-bicyclo[4.2.0]octa-1,3,5-trien-7-ylidene-8-bromo-, (E)-
SpectraBase Compound ID HYav8r2k8eJ
InChI InChI=1S/C16H11Br/c17-16-13-8-4-3-7-12(13)15(16)14-9-10-5-1-2-6-11(10)14/h1-8,16H,9H2/b15-14+
InChIKey YYZDZZZZEOYKNF-CCEZHUSRSA-N
Mol Weight 283.17 g/mol
Molecular Formula C16H11Br
Exact Mass 282.004413 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7HmddeMDSVZ
Name Bicyclo[4.2.0]octa-1,3,5-triene, 7-bicyclo[4.2.0]octa-1,3,5-trien-7-ylidene-8-bromo-, (E)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 282.004413354 u
Formula C16H11Br
InChI InChI=1S/C16H11Br/c17-16-13-8-4-3-7-12(13)15(16)14-9-10-5-1-2-6-11(10)14/h1-8,16H,9H2/b15-14+
InChIKey YYZDZZZZEOYKNF-CCEZHUSRSA-N
SMILES C1=2\C(=C/3C4=CC=CC=C4C3Br)CC1=CC=CC2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.984481