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Methyl 3-benzyloxy-2-bromo-4-methoxybenzoate

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

Methyl 3-benzyloxy-2-bromo-4-methoxybenzoate
SpectraBase Compound ID CsNrhnjxpU1
InChI InChI=1S/C16H15BrO4/c1-19-13-9-8-12(16(18)20-2)14(17)15(13)21-10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3
InChIKey IMIHGELRNDVMBV-UHFFFAOYSA-N
Mol Weight 351.2 g/mol
Molecular Formula C16H15BrO4
Exact Mass 350.015372 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DcVbbxGMpM4
Name Methyl 3-benzyloxy-2-bromo-4-methoxybenzoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 350.015371959 u
Formula C16H15BrO4
InChI InChI=1S/C16H15BrO4/c1-19-13-9-8-12(16(18)20-2)14(17)15(13)21-10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3
InChIKey IMIHGELRNDVMBV-UHFFFAOYSA-N
Molecular Weight 351.196 g/mol
SMILES C=1(C(=C(OCC2=CC=CC=C2)C(=CC1)OC)Br)C(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.824913