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

*Links on SpectraBase are not permalinks.

3-Bromobenzoic acid, octyl ester

View entire compound with spectra: 2 MS (GC)

3-Bromobenzoic acid, octyl ester
SpectraBase Compound ID LWx6s7fvsFB
InChI InChI=1S/C15H21BrO2/c1-2-3-4-5-6-7-11-18-15(17)13-9-8-10-14(16)12-13/h8-10,12H,2-7,11H2,1H3
InChIKey JSKVLQSCAXCDBL-UHFFFAOYSA-N
Mol Weight 313.24 g/mol
Molecular Formula C15H21BrO2
Exact Mass 312.072493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 7WEqUh21ETu
Name 3-Bromobenzoic acid, octyl ester
Alternate Name(s) Octyl 3-bromanylbenzoate Octyl 3-bromobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H21BrO2
InChI InChI=1S/C15H21BrO2/c1-2-3-4-5-6-7-11-18-15(17)13-9-8-10-14(16)12-13/h8-10,12H,2-7,11H2,1H3
InChIKey JSKVLQSCAXCDBL-UHFFFAOYSA-N
Molecular Weight 313.235 g/mol
SMILES c1(Br)cc(ccc1)C(=O)OCCCCCCCC
SPLASH splash10-0zfr-9320000000-a09f6f27b374d4db5e69
Wiley ID 1494109