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3-Bromo-1-o-tolylprop-2-ynyl acetate
SpectraBase Compound ID KeEQZ07pQHd
InChI InChI=1S/C12H11BrO2/c1-9-5-3-4-6-11(9)12(7-8-13)15-10(2)14/h3-6,12H,1-2H3
InChIKey IDVKWTBFMJIAEM-UHFFFAOYSA-N
Mol Weight 267.12 g/mol
Molecular Formula C12H11BrO2
Exact Mass 265.994243 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4boP7CFmma5
Name 3-Bromo-1-o-tolylprop-2-ynyl acetate
Alternate Name(s) 3-Bromo-1-(o-tolyl)prop-2-yn-1-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11BrO2
InChI InChI=1S/C12H11BrO2/c1-9-5-3-4-6-11(9)12(7-8-13)15-10(2)14/h3-6,12H,1-2H3
InChIKey IDVKWTBFMJIAEM-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo4027319
Molecular Weight 267.122 g/mol
SMILES c1c(c(ccc1)C(C#CBr)OC(C)=O)C
SPLASH splash10-014i-0390000000-a4a512f6bd4e6e333f00
Source of Spectrum J-79-2457-1g
Wiley ID 1746060