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(1R,4S,8S)-6-bromo-2,2-dimethoxy-8-methyl-3-oxo-8-bicyclo[2.2.2]oct-5-enecarboxylic acid methyl ester
SpectraBase Compound ID 9QINB98hLOx
InChI InChI=1S/C13H17BrO5/c1-12(11(16)17-2)6-8-9(14)5-7(12)10(15)13(8,18-3)19-4/h5,7-8H,6H2,1-4H3/t7-,8+,12+/m1/s1
InChIKey OYFVKFXZQJITBF-LWINAJNOSA-N
Mol Weight 333.18 g/mol
Molecular Formula C13H17BrO5
Exact Mass 332.025937 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EhafHSP1VLk
Name (1R,4S,8S)-6-bromo-2,2-dimethoxy-8-methyl-3-oxo-8-bicyclo[2.2.2]oct-5-enecarboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17BrO5
InChI InChI=1S/C13H17BrO5/c1-12(11(16)17-2)6-8-9(14)5-7(12)10(15)13(8,18-3)19-4/h5,7-8H,6H2,1-4H3/t7-,8+,12+/m1/s1
InChIKey OYFVKFXZQJITBF-LWINAJNOSA-N
Molecular Weight 333.178 g/mol
SMILES C1([C@@]2(C(Br)=C[C@](C1=O)([C@](C(=O)OC)(C)C2)[H])[H])(OC)OC
SPLASH splash10-0a4i-7069000000-84cf3f217209f49bad87
Source of Spectrum J-67-6500-25
Synonyms (1R,4S,8S)-6-bromo-3-keto-2,2-dimethoxy-8-methyl-bicyclo[2.2.2]oct-5-ene-8-carboxylic acid methyl ester Methyl (1R,4S,8S)-6-bromanyl-2,2-dimethoxy-8-methyl-3-oxidanylidene-bicyclo[2.2.2]oct-5-ene-8-carboxylate Methyl (1R,4S,8S)-6-bromo-2,2-dimethoxy-8-methyl-3-oxo-bicyclo[2.2.2]oct-5-ene-8-carboxylate
Wiley ID 1570850