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(1S,2S,3S,4R)-1-Bromo-6-(ethoxycarbonyl)-2,3-O-isopropylidenebicyclo[2.2.2]octa-5,7-dien-2,3-diol
SpectraBase Compound ID yXmA2DVauQ
InChI InChI=1S/C14H17BrO4/c1-4-17-12(16)9-7-8-5-6-14(9,15)11-10(8)18-13(2,3)19-11/h5-8,10-11H,4H2,1-3H3
InChIKey BKGXZHQKNJQAKD-UHFFFAOYSA-N
Mol Weight 329.19 g/mol
Molecular Formula C14H17BrO4
Exact Mass 328.031022 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2kIB4GY450h
Name (1S,2S,3S,4R)-1-Bromo-6-(ethoxycarbonyl)-2,3-O-isopropylidenebicyclo[2.2.2]octa-5,7-dien-2,3-diol
Alternate Name(s) 1-Bromo-6-(ethoxycarbonyl)-2,3-O-isopropylidenebicyclo[2.2.2]octa-5,7-dien-2,3-diol Ethyl (1R,2S,6S,7S)-7-bromo-4,4-dimethyl-3,5-dioxatricyclo[5.2.2.0(2,6)]undeca-8,10-diene-8-carboxylate
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Formula C14H17BrO4
InChI InChI=1S/C14H17BrO4/c1-4-17-12(16)9-7-8-5-6-14(9,15)11-10(8)18-13(2,3)19-11/h5-8,10-11H,4H2,1-3H3
InChIKey BKGXZHQKNJQAKD-UHFFFAOYSA-N
Molecular Weight 329.190 g/mol
SMILES C=1(C2(C3OC(C)(C)OC3C(C1)C=C2)Br)C(=O)OCC
SPLASH splash10-0udr-8900000000-34ad6d76ebf3d938d7b6
Source of Spectrum C-116-5113-20
Wiley ID 1325945