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7-(3-Bromopropyl)-7H-benzanthrene

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

7-(3-Bromopropyl)-7H-benzanthrene
SpectraBase Compound ID FBH2DrBsOeK
InChI InChI=1S/C20H17Br/c21-13-5-12-17-15-8-1-2-9-16(15)18-10-3-6-14-7-4-11-19(17)20(14)18/h1-4,6-11,17H,5,12-13H2
InChIKey XXJHHOIJGBKDFT-UHFFFAOYSA-N
Mol Weight 337.26 g/mol
Molecular Formula C20H17Br
Exact Mass 336.051364 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3pDMoCCPYZL
Name 7-(3-Bromopropyl)-7H-benzanthrene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 336.051363547 u
Formula C20H17Br
InChI InChI=1S/C20H17Br/c21-13-5-12-17-15-8-1-2-9-16(15)18-10-3-6-14-7-4-11-19(17)20(14)18/h1-4,6-11,17H,5,12-13H2
InChIKey XXJHHOIJGBKDFT-UHFFFAOYSA-N
Molecular Weight 337.260 g/mol
SMILES C12=C3C(=CC=CC3=CC=C1)C(C=1C2=CC=CC1)CCCBr
Spectrum/Structure Validation Score (Vapor Phase IR) 0.836404