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3-Bromobenzoic acid, 2-methyloct-5-yn-4-yl ester
SpectraBase Compound ID 4pOgFVKo5iz
InChI InChI=1S/C16H19BrO2/c1-4-5-9-15(10-12(2)3)19-16(18)13-7-6-8-14(17)11-13/h6-8,11-12,15H,4,10H2,1-3H3
InChIKey WNXIBONIYPGXFQ-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 4ATgKJuqY4
Name 3-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/c1-4-5-9-15(10-12(2)3)19-16(18)13-7-6-8-14(17)11-13/h6-8,11-12,15H,4,10H2,1-3H3
InChIKey WNXIBONIYPGXFQ-UHFFFAOYSA-N
Molecular Weight 323.230 g/mol
SMILES c1(cccc(c1)C(OC(C#CCC)CC(C)C)=O)Br
SPLASH splash10-001r-4910000000-4e34eb3042435daf3de0
Source of Spectrum NP-11-3160-0
Synonyms 3-Bromobenzoic acid 2-methyloct-5-yn-4-yl ester 2-Methyloct-5-yn-4-yl 3-bromobenzoate 1-isobutylpent-2-ynyl 3-bromobenzoate 2-Methyloct-5-yn-4-yl 3-bromanylbenzoate
Wiley ID 1109536