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3,5-Methano-2H-cyclopenta[b]furan-7-carboxylic acid, 6-bromohexahydro-2-oxo-, methyl ester, (3.alpha.,3a.beta.,5.alpha.,6.beta.,6a.beta.,7S*)-
SpectraBase Compound ID IQhfllAQpNe
InChI InChI=1S/C10H11BrO4/c1-14-9(12)5-3-2-4-6(5)10(13)15-8(4)7(3)11/h3-8H,2H2,1H3/t3-,4-,5-,6+,7-,8-/m1/s1
InChIKey BXVYBBSXCGDGSK-CVBHLRHXSA-N
Mol Weight 275.1 g/mol
Molecular Formula C10H11BrO4
Exact Mass 273.984072 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CLORT6NeKsH
Name 3,5-Methano-2H-cyclopenta[b]furan-7-carboxylic acid, 6-bromohexahydro-2-oxo-, methyl ester, (3.alpha.,3a.beta.,5.alpha.,6.beta.,6a.beta.,7S*)-
Alternate Name(s) Dimethyl trans-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate Methyl (1S,2R,3R,6S,7R,9S)-2-bromo-5-oxo-4-oxatricyclo[4.2.1.0(3,7)]nonane-9-carboxylate
CAS Registry Number 78824-64-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H11BrO4
InChI InChI=1S/C10H11BrO4/c1-14-9(12)5-3-2-4-6(5)10(13)15-8(4)7(3)11/h3-8H,2H2,1H3/t3-,4-,5-,6+,7-,8-/m1/s1
InChIKey BXVYBBSXCGDGSK-CVBHLRHXSA-N
Molecular Weight 275.098 g/mol
SMILES C1([C@]2([C@]3(C[C@@]([C@]2(C(=O)OC)[H])([H])[C@]([C@@]3(O1)[H])(Br)[H])[H])[H])=O
SPLASH splash10-0002-0790000000-3516867696760a3a1573
Source of Spectrum KC-1981-1553-0
Wiley ID 1277616