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3-Methyl-1,4-dibromo-3-buten-2-one-1',3'-Butylene ketal
SpectraBase Compound ID 7zTQ9G1WVu8
InChI InChI=1S/C9H14Br2O2/c1-7(5-10)9(6-11)12-4-3-8(2)13-9/h5,8H,3-4,6H2,1-2H3/b7-5+/t8-,9+/m0/s1
InChIKey QIRIVLRVBUWJHF-KSOOHAFHSA-N
Mol Weight 314.02 g/mol
Molecular Formula C9H14Br2O2
Exact Mass 311.936056 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1nGa0Fu71ee
Name 3-Methyl-1,4-dibromo-3-buten-2-one-1',3'-Butylene ketal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14Br2O2
InChI InChI=1S/C9H14Br2O2/c1-7(5-10)9(6-11)12-4-3-8(2)13-9/h5,8H,3-4,6H2,1-2H3/b7-5+/t8-,9+/m0/s1
InChIKey QIRIVLRVBUWJHF-KSOOHAFHSA-N
Molecular Weight 314.017 g/mol
SMILES [C@@]1(\C(=C\Br)C)(O[C@@](C)(CCO1)[H])CBr
SPLASH splash10-066u-9500000000-2d3ec8031ade3f1174b1
Source of Spectrum Y4-83-50-24
Synonyms 2-(bromomethyl)-2-[(E)-2-bromo-1-methylethenyl]-4-methyl-1,3-dioxane 3-Methyl-1,4-dibromo-2-butenone-1',3'-Butylene ketal
Wiley ID 1549956