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.alpha.-(3,4-Dimethoxyphenyl)-6-bromoveratryl alcohol

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

.alpha.-(3,4-Dimethoxyphenyl)-6-bromoveratryl alcohol
SpectraBase Compound ID LWFA95eKtZk
InChI InChI=1S/C17H19BrO5/c1-20-13-6-5-10(7-14(13)21-2)17(19)11-8-15(22-3)16(23-4)9-12(11)18/h5-9,17,19H,1-4H3
InChIKey LNAHWTATLVYZCS-UHFFFAOYSA-N
Mol Weight 383.24 g/mol
Molecular Formula C17H19BrO5
Exact Mass 382.041587 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8LVeAkFdJc4
Name .alpha.-(3,4-Dimethoxyphenyl)-6-bromoveratryl alcohol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 382.041586707 u
Formula C17H19BrO5
InChI InChI=1S/C17H19BrO5/c1-20-13-6-5-10(7-14(13)21-2)17(19)11-8-15(22-3)16(23-4)9-12(11)18/h5-9,17,19H,1-4H3
InChIKey LNAHWTATLVYZCS-UHFFFAOYSA-N
Molecular Weight 383.238 g/mol
SMILES C1(=C(C=C(C(=C1)OC)OC)Br)C(C=1C=C(OC)C(=CC1)OC)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.977121