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

View entire compound with spectra: 1 MS (GC)

2-Bromobenzoic acid, 2-methyloct-5-yn-4-yl ester
SpectraBase Compound ID 6ybSUDABoi4
InChI InChI=1S/C16H19BrO2/c1-4-5-8-13(11-12(2)3)19-16(18)14-9-6-7-10-15(14)17/h6-7,9-10,12-13H,4,11H2,1-3H3
InChIKey NZYBMUABIJRVEC-UHFFFAOYSA-N
Mol Weight 323.23 g/mol
Molecular Formula C16H19BrO2
Exact Mass 322.056843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2xA9H9b8kq
Name 2-Bromobenzoic acid, 2-methyloct-5-yn-4-yl ester
Alternate Name(s) 2-Bromobenzoic acid 2-methyloct-5-yn-4-yl ester 2-Methyloct-5-yn-4-yl 2-bromobenzoate 1-isobutylpent-2-ynyl 2-bromobenzoate 2-Methyloct-5-yn-4-yl 2-bromanylbenzoate
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Formula C16H19BrO2
InChI InChI=1S/C16H19BrO2/c1-4-5-8-13(11-12(2)3)19-16(18)14-9-6-7-10-15(14)17/h6-7,9-10,12-13H,4,11H2,1-3H3
InChIKey NZYBMUABIJRVEC-UHFFFAOYSA-N
Molecular Weight 323.230 g/mol
SMILES c1ccc(c(c1)C(OC(CC(C)C)C#CCC)=O)Br
SPLASH splash10-001r-3910000000-8785b4ee4bffd3cddd77
Source of Spectrum NP-11-3162-0
Wiley ID 1109538