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

*Links on SpectraBase are not permalinks.

4-Bromobenzoic acid, 2-methyloct-5-yn-4-yl ester

View entire compound with spectra: 1 MS (GC)

4-Bromobenzoic acid, 2-methyloct-5-yn-4-yl ester
SpectraBase Compound ID 3YIaK5KHzRz
InChI InChI=1S/C16H19BrO2/c1-4-5-6-15(11-12(2)3)19-16(18)13-7-9-14(17)10-8-13/h7-10,12,15H,4,11H2,1-3H3
InChIKey KOBPOANEYWMGMK-UHFFFAOYSA-N
Mol Weight 323.23 g/mol
Molecular Formula C16H19BrO2
Exact Mass 322.056843 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 47fSpbGVu4
Name 4-Bromobenzoic acid, 2-methyloct-5-yn-4-yl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19BrO2
InChI InChI=1S/C16H19BrO2/c1-4-5-6-15(11-12(2)3)19-16(18)13-7-9-14(17)10-8-13/h7-10,12,15H,4,11H2,1-3H3
InChIKey KOBPOANEYWMGMK-UHFFFAOYSA-N
Molecular Weight 323.230 g/mol
SMILES c1c(ccc(c1)C(OC(CC(C)C)C#CCC)=O)Br
SPLASH splash10-001r-3910000000-f87c90f962a0971c8f2b
Source of Spectrum NP-11-3161-0
Synonyms 4-Bromobenzoic acid 2-methyloct-5-yn-4-yl ester 2-Methyloct-5-yn-4-yl 4-bromobenzoate 1-isobutylpent-2-ynyl 4-bromobenzoate 2-Methyloct-5-yn-4-yl 4-bromanylbenzoate
Wiley ID 1109537