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9,10-Dihydrophenanthrene, 2-[4-bromo-N-butyl]-

View entire compound with spectra: 1 FTIR

9,10-Dihydrophenanthrene, 2-[4-bromo-N-butyl]-
SpectraBase Compound ID 4ZVv2QvZu0m
InChI InChI=1S/C18H19Br/c19-12-4-3-5-14-8-11-18-16(13-14)10-9-15-6-1-2-7-17(15)18/h1-2,6-8,11,13H,3-5,9-10,12H2
InChIKey XFUFRXDIGXKLLF-UHFFFAOYSA-N
Mol Weight 315.25 g/mol
Molecular Formula C18H19Br
Exact Mass 314.067014 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HJC7B87avMJ
Name 9,10-Dihydrophenanthrene, 2-[4-bromo-N-butyl]-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 314.067013612 u
Formula C18H19Br
InChI InChI=1S/C18H19Br/c19-12-4-3-5-14-8-11-18-16(13-14)10-9-15-6-1-2-7-17(15)18/h1-2,6-8,11,13H,3-5,9-10,12H2
InChIKey XFUFRXDIGXKLLF-UHFFFAOYSA-N
SMILES C1C2=C(C=3C(C1)=CC(=CC3)CCCCBr)C=CC=C2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.893351