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6-Bromo-2-(methoxycarbonyl)-2-(2-propenyl)-3-cyclohexen-1-one, Dimethyl Ketal
SpectraBase Compound ID JfQ4noOgWqg
InChI InChI=1S/C13H19BrO4/c1-5-8-12(11(15)16-2)9-6-7-10(14)13(12,17-3)18-4/h5-6,9-10H,1,7-8H2,2-4H3
InChIKey YWVMVDHEESXXRZ-UHFFFAOYSA-N
Mol Weight 319.2 g/mol
Molecular Formula C13H19BrO4
Exact Mass 318.046672 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 16JL4M7xrbY
Name 6-Bromo-2-(methoxycarbonyl)-2-(2-propenyl)-3-cyclohexen-1-one, Dimethyl Ketal
Alternate Name(s) Methyl 1-allyl-5-bromo-6,6-dimethoxy-2-cyclohexene-1-carboxylate
CAS Registry Number 97254-14-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H19BrO4
InChI InChI=1S/C13H19BrO4/c1-5-8-12(11(15)16-2)9-6-7-10(14)13(12,17-3)18-4/h5-6,9-10H,1,7-8H2,2-4H3
InChIKey YWVMVDHEESXXRZ-UHFFFAOYSA-N
Molecular Weight 319.195 g/mol
SMILES C1(C(C(Br)CC=C1)(OC)OC)(C(=O)OC)CC=C
SPLASH splash10-000i-0090000000-cc0ec4d1c5e9dfd1d974
Source of Spectrum J-50-3088-2
Wiley ID 1318042