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3,4-Dihydro-2-bromo-4,4-dimethyl-1-phenylnaphthalene

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

3,4-Dihydro-2-bromo-4,4-dimethyl-1-phenylnaphthalene
SpectraBase Compound ID CNSW3EZ5YbZ
InChI InChI=1S/C18H17Br/c1-18(2)12-16(19)17(13-8-4-3-5-9-13)14-10-6-7-11-15(14)18/h3-11H,12H2,1-2H3
InChIKey HHPJHLSGKQFIMP-UHFFFAOYSA-N
Mol Weight 313.24 g/mol
Molecular Formula C18H17Br
Exact Mass 312.051364 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Hi1PpPVaFex
Name 3,4-Dihydro-2-bromo-4,4-dimethyl-1-phenylnaphthalene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 312.051363547 u
Formula C18H17Br
InChI InChI=1S/C18H17Br/c1-18(2)12-16(19)17(13-8-4-3-5-9-13)14-10-6-7-11-15(14)18/h3-11H,12H2,1-2H3
InChIKey HHPJHLSGKQFIMP-UHFFFAOYSA-N
Molecular Weight 313.238 g/mol
SMILES CC1(C)CC(Br)=C(C=2C1=CC=CC2)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.950755