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3-Bromobenzoic acid, 5-pentadecyl ester

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

3-Bromobenzoic acid, 5-pentadecyl ester
SpectraBase Compound ID FuZGpaEdxDD
InChI InChI=1S/C22H35BrO2/c1-3-5-7-8-9-10-11-12-17-21(16-6-4-2)25-22(24)19-14-13-15-20(23)18-19/h13-15,18,21H,3-12,16-17H2,1-2H3
InChIKey MRNWCHWOHKNNLI-UHFFFAOYSA-N
Mol Weight 411.4 g/mol
Molecular Formula C22H35BrO2
Exact Mass 410.182043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID fBmRZkWSFa
Name 1-Butylundecyl 3-bromobenzoate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H35BrO2
InChI InChI=1S/C22H35BrO2/c1-3-5-7-8-9-10-11-12-17-21(16-6-4-2)25-22(24)19-14-13-15-20(23)18-19/h13-15,18,21H,3-12,16-17H2,1-2H3
InChIKey MRNWCHWOHKNNLI-UHFFFAOYSA-N
Molecular Weight 411.424 g/mol
SMILES c1cc(C(OC(CCCC)CCCCCCCCCC)=O)cc(c1)Br
SPLASH splash10-001r-5930000000-aa8b3b7519f6553c494a
Source of Spectrum NP-14-6766-0
Synonyms 3-Bromobenzoic acid, 5-pentadecyl ester 3-Bromobenzoic acid pentadecan-5-yl ester Pentadecan-5-yl 3-bromobenzoate Pentadecan-5-yl 3-bromanylbenzoate
Wiley ID 1111917