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5-Benzyloxy-3-bromo-4-hydroxy-1-methoxynaphthalene

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

5-Benzyloxy-3-bromo-4-hydroxy-1-methoxynaphthalene
SpectraBase Compound ID 9hwJX2DuweJ
InChI InChI=1S/C18H15BrO3/c1-21-16-10-14(19)18(20)17-13(16)8-5-9-15(17)22-11-12-6-3-2-4-7-12/h2-10,20H,11H2,1H3
InChIKey HGHOPTHMKLPDCT-UHFFFAOYSA-N
Mol Weight 359.22 g/mol
Molecular Formula C18H15BrO3
Exact Mass 358.020457 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8GHFjOThVxF
Name 5-Benzyloxy-3-bromo-4-hydroxy-1-methoxynaphthalene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 358.020457340 u
Formula C18H15BrO3
InChI InChI=1S/C18H15BrO3/c1-21-16-10-14(19)18(20)17-13(16)8-5-9-15(17)22-11-12-6-3-2-4-7-12/h2-10,20H,11H2,1H3
InChIKey HGHOPTHMKLPDCT-UHFFFAOYSA-N
Molecular Weight 359.219 g/mol
SMILES C=1(C=C(C(=C2C(=CC=CC12)OCC=1C=CC=CC1)O)Br)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.899124