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(2aS,3S,6aS)-7-Bromo-3-(methoxycarbonyl)-3,3a,4,6a-tetrahydrobenzo[5,6-a']benzo[2H]-isopyran-2-one
SpectraBase Compound ID 5NjKSpum4DN
InChI InChI=1S/C15H13BrO4/c1-19-14(17)9-5-2-4-8-12(9)15(18)20-11-7-3-6-10(16)13(8)11/h2-4,6-9,12H,5H2,1H3/t8-,9-,12-/m0/s1
InChIKey IGZITUGBLLBXMA-AUTRQRHGSA-N
Mol Weight 337.17 g/mol
Molecular Formula C15H13BrO4
Exact Mass 335.999722 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ZHHHxhApNM
Name (2aS,3S,6aS)-7-Bromo-3-(methoxycarbonyl)-3,3a,4,6a-tetrahydrobenzo[5,6-a']benzo[2H]-isopyran-2-one
Alternate Name(s) 7-Bromo-3-(methoxycarbonyl)-3,3a,4,6a-tetrahydrobenzo[5,6-a']benzo[2H]-isopyran-2-one (6aS,7S,10aS)-methyl 1-bromo-6-oxo-6a,7,8,10a-tetrahydro-6H-benzo[c]chromene-7-carboxylate (6aS,7S,10aS)-1-bromo-6-oxo-6a,7,8,10a-tetrahydrobenzo[c][1]benzopyran-7-carboxylic acid methyl ester Methyl (6aS,7S,10aS)-1-bromo-6-oxo-6a,7,8,10a-tetrahydrobenzo[c]chromene-7-carboxylate Methyl (6aS,7S,10aS)-1-bromanyl-6-oxidanylidene-6a,7,8,10a-tetrahydrobenzo[c]chromene-7-carboxylate
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Formula C15H13BrO4
InChI InChI=1S/C15H13BrO4/c1-19-14(17)9-5-2-4-8-12(9)15(18)20-11-7-3-6-10(16)13(8)11/h2-4,6-9,12H,5H2,1H3/t8-,9-,12-/m0/s1
InChIKey IGZITUGBLLBXMA-AUTRQRHGSA-N
Molecular Weight 337.169 g/mol
SMILES C1([C@]2([C@@](C=CC[C@@]2(C(=O)OC)[H])([H])c2c(O1)cccc2Br)[H])=O
SPLASH splash10-0061-0591000000-2baf83dd8536e86be827
Source of Spectrum F5-6-520-cis--5P
Wiley ID 1733383