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3-(5-Bromo-2-t-butyl-6-oxo-6H-[1,3]dioxin-4-yl)acrylic acid, methyl ester
SpectraBase Compound ID DgSdDKRhNFN
InChI InChI=1S/C12H15BrO5/c1-12(2,3)11-17-7(5-6-8(14)16-4)9(13)10(15)18-11/h5-6,11H,1-4H3/b6-5+
InChIKey INHQAOJIUDWXDI-AATRIKPKSA-N
Mol Weight 319.15 g/mol
Molecular Formula C12H15BrO5
Exact Mass 318.010287 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Bx3VYHSztK
Name 3-(5-Bromo-2-t-butyl-6-oxo-6H-[1,3]dioxin-4-yl)acrylic acid, methyl ester
Alternate Name(s) (E)-3-(5-bromo-2-tert-butyl-6-keto-1,3-dioxin-4-yl)acrylic acid methyl ester (E)-3-(5-bromo-2-tert-butyl-6-oxo-1,3-dioxin-4-yl)-2-propenoic acid methyl ester Methyl (2E)-3-(5-bromo-2-tert-butyl-4-oxo-4H-1,3-dioxin-6-yl)-2-propenoate Methyl (E)-3-(5-bromanyl-2-tert-butyl-6-oxidanylidene-1,3-dioxin-4-yl)prop-2-enoate Methyl (E)-3-(5-bromo-2-tert-butyl-6-oxo-1,3-dioxin-4-yl)prop-2-enoate
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Formula C12H15BrO5
InChI InChI=1S/C12H15BrO5/c1-12(2,3)11-17-7(5-6-8(14)16-4)9(13)10(15)18-11/h5-6,11H,1-4H3/b6-5+
InChIKey INHQAOJIUDWXDI-AATRIKPKSA-N
Molecular Weight 319.151 g/mol
SMILES C(=O)(\C=C\C=1OC(OC(C1Br)=O)C(C)(C)C)OC
SPLASH splash10-08fr-9740000000-d35a293835e0ff3b1544
Wiley ID 1481783