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4,5-bis(Benzyloxy)-2-bromobenzaldehyde

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

4,5-bis(Benzyloxy)-2-bromobenzaldehyde
SpectraBase Compound ID 1Oy7N6Ar4d
InChI InChI=1S/C21H17BrO3/c22-19-12-21(25-15-17-9-5-2-6-10-17)20(11-18(19)13-23)24-14-16-7-3-1-4-8-16/h1-13H,14-15H2
InChIKey SSGJSRFVVZWBMU-UHFFFAOYSA-N
Mol Weight 397.27 g/mol
Molecular Formula C21H17BrO3
Exact Mass 396.036107 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 4YbZPIxMwvp
Name 4,5-bis(Benzyloxy)-2-bromobenzaldehyde
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 396.036107404 u
Formula C21H17BrO3
InChI InChI=1S/C21H17BrO3/c22-19-12-21(25-15-17-9-5-2-6-10-17)20(11-18(19)13-23)24-14-16-7-3-1-4-8-16/h1-13H,14-15H2
InChIKey SSGJSRFVVZWBMU-UHFFFAOYSA-N
Molecular Weight 397.268 g/mol
SMILES C1=C(C(=CC(=C1OCC=1C=CC=CC1)OCC=1C=CC=CC1)Br)C=O
Spectrum/Structure Validation Score (Raman) 0.828133