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Bicyclo[2.2.2]oct-2-ene-2,3-dicarboxylic acid, 5-(dichloromethyl)-5-methyl-6-oxo-, dimethyl ester, (1.alpha.,4.alpha.,5.alpha.)-
SpectraBase Compound ID BvCnfZId0b8
InChI InChI=1S/C14H16Cl2O5/c1-14(13(15)16)7-5-4-6(10(14)17)8(11(18)20-2)9(7)12(19)21-3/h6-7,13H,4-5H2,1-3H3/t6-,7+,14-/m1/s1
InChIKey SJSJJFMJJLVKIC-FHZAEYJHSA-N
Mol Weight 335.18 g/mol
Molecular Formula C14H16Cl2O5
Exact Mass 334.037479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IlgUZ8cxjlM
Name Bicyclo[2.2.2]oct-2-ene-2,3-dicarboxylic acid, 5-(dichloromethyl)-5-methyl-6-oxo-, dimethyl ester, (1.alpha.,4.alpha.,5.alpha.)-
CAS Registry Number 124183-13-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16Cl2O5
InChI InChI=1S/C14H16Cl2O5/c1-14(13(15)16)7-5-4-6(10(14)17)8(11(18)20-2)9(7)12(19)21-3/h6-7,13H,4-5H2,1-3H3/t6-,7+,14-/m1/s1
InChIKey SJSJJFMJJLVKIC-FHZAEYJHSA-N
Molecular Weight 335.183 g/mol
SMILES [C@]1(C([C@@]2([H])C(=C([C@@]1(CC2)[H])C(=O)OC)C(=O)OC)=O)(C(Cl)Cl)C
SPLASH splash10-014r-0927000000-5f22f8f9dc696d3e4a18
Source of Spectrum I-67-46-45
Synonyms Dimethyl (1R,4S,5R)-5-(dichloromethyl)-5-methyl-6-oxobicyclo[2.2.2]oct-2-ene-2,3-dicarboxylate Dimethyl exo-6-(dichloromethyl-endo-6-methyl-5-oxobicyclo[2.2.2]-oct-2-ene-2,3-dicarboxylate
Wiley ID 1330618