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alpha-(1-Bromohexyl)benzhydrol

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 Raman

alpha-(1-Bromohexyl)benzhydrol
SpectraBase Compound ID Ke2stG3D2C5
InChI InChI=1S/C19H23BrO/c1-2-3-6-15-18(20)19(21,16-11-7-4-8-12-16)17-13-9-5-10-14-17/h4-5,7-14,18,21H,2-3,6,15H2,1H3
InChIKey JRHLJTAVULBWHI-UHFFFAOYSA-N
Mol Weight 347.3 g/mol
Molecular Formula C19H23BrO
Exact Mass 346.093228 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID IIJaJgPefsq
Name alpha-(1-Bromohexyl)benzhydrol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 346.093228360 u
Formula C19H23BrO
InChI InChI=1S/C19H23BrO/c1-2-3-6-15-18(20)19(21,16-11-7-4-8-12-16)17-13-9-5-10-14-17/h4-5,7-14,18,21H,2-3,6,15H2,1H3
InChIKey JRHLJTAVULBWHI-UHFFFAOYSA-N
Molecular Weight 347.296 g/mol
SMILES OC(C1=CC=CC=C1)(C=1C=CC=CC1)C(CCCCC)Br
Spectrum/Structure Validation Score (Raman) 0.960541