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5,9-Methano-5H-benzocycloheptene, 8-bromo-8,9-dihydro-

View entire compound with spectra: 1 FTIR

5,9-Methano-5H-benzocycloheptene, 8-bromo-8,9-dihydro-
SpectraBase Compound ID Ca7omASM0cz
InChI InChI=1S/C12H11Br/c13-12-6-5-8-7-11(12)10-4-2-1-3-9(8)10/h1-6,8,11-12H,7H2
InChIKey XQBKNLGGAYAOJK-UHFFFAOYSA-N
Mol Weight 235.12 g/mol
Molecular Formula C12H11Br
Exact Mass 234.004413 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Iunec7pLdFf
Name 5,9-Methano-5H-benzocycloheptene, 8-bromo-8,9-dihydro-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 234.004413354 u
Formula C12H11Br
InChI InChI=1S/C12H11Br/c13-12-6-5-8-7-11(12)10-4-2-1-3-9(8)10/h1-6,8,11-12H,7H2
InChIKey XQBKNLGGAYAOJK-UHFFFAOYSA-N
Molecular Weight 235.124 g/mol
SMILES C12=CC=CC=C2C2C(Br)C=CC1C2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.834326