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

*Links on SpectraBase are not permalinks.
4-(Methylthio)benzoic acid, 3-bromobenzyl ester
SpectraBase Compound ID H34KW3XASY6
InChI InChI=1S/C15H13BrO2S/c1-19-14-7-5-12(6-8-14)15(17)18-10-11-3-2-4-13(16)9-11/h2-9H,10H2,1H3
InChIKey FLQQLMSMHSJCAK-UHFFFAOYSA-N
Mol Weight 337.23 g/mol
Molecular Formula C15H13BrO2S
Exact Mass 335.981964 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 9PanmiZ0OQQ
Name 4-(Methylthio)benzoic acid, 3-bromobenzyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 335.981963831 u
Formula C15H13BrO2S
InChI InChI=1S/C15H13BrO2S/c1-19-14-7-5-12(6-8-14)15(17)18-10-11-3-2-4-13(16)9-11/h2-9H,10H2,1H3
InChIKey FLQQLMSMHSJCAK-UHFFFAOYSA-N
Molecular Weight 337.231 g/mol
SMILES C1=CC(=CC=C1C(=O)OCC=1C=C(C=CC1)Br)SC