For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

3-(p-Bromophenyl)-4-methylumbelliferone

View entire compound with spectra: 1 NMR, 1 Raman, and 2 UV-Vis

3-(p-Bromophenyl)-4-methylumbelliferone
SpectraBase Compound ID KZtAMOsQxuD
InChI InChI=1S/C16H11BrO3/c1-9-13-7-6-12(18)8-14(13)20-16(19)15(9)10-2-4-11(17)5-3-10/h2-8,18H,1H3
InChIKey KPJSRHQRNCHUAP-UHFFFAOYSA-N
Mol Weight 331.17 g/mol
Molecular Formula C16H11BrO3
Exact Mass 329.989157 g/mol

Raman Spectrum

Raman Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2seUdqbXM2C
Name 3-(p-Bromophenyl)-4-methylumbelliferone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 329.989157211 u
Formula C16H11BrO3
InChI InChI=1S/C16H11BrO3/c1-9-13-7-6-12(18)8-14(13)20-16(19)15(9)10-2-4-11(17)5-3-10/h2-8,18H,1H3
InChIKey KPJSRHQRNCHUAP-UHFFFAOYSA-N
Molecular Weight 331.165 g/mol
SMILES OC1=CC=2OC(C(=C(C2C=C1)C)C=1C=CC(=CC1)Br)=O
Spectrum/Structure Validation Score (Raman) 0.919837