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1,3-Bis(3-bromopropyl)-5-benzyloxybenzene

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

1,3-Bis(3-bromopropyl)-5-benzyloxybenzene
SpectraBase Compound ID LjgptNlplEp
InChI InChI=1S/C19H22Br2O/c20-10-4-8-17-12-18(9-5-11-21)14-19(13-17)22-15-16-6-2-1-3-7-16/h1-3,6-7,12-14H,4-5,8-11,15H2
InChIKey YQXOUBLGUYXSAK-UHFFFAOYSA-N
Mol Weight 426.19 g/mol
Molecular Formula C19H22Br2O
Exact Mass 424.003741 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CzQbc4UnfxQ
Name 1,3-bis(3-Bromopropyl)-5-benzyloxybenzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 424.003741327 u
Formula C19H22Br2O
InChI InChI=1S/C19H22Br2O/c20-10-4-8-17-12-18(9-5-11-21)14-19(13-17)22-15-16-6-2-1-3-7-16/h1-3,6-7,12-14H,4-5,8-11,15H2
InChIKey YQXOUBLGUYXSAK-UHFFFAOYSA-N
Molecular Weight 426.192 g/mol
SMILES C=1(C=C(C=C(C1)OCC=1C=CC=CC1)CCCBr)CCCBr
Spectrum/Structure Validation Score (Vapor Phase IR) 0.927997