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Dimethyl 1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
SpectraBase Compound ID 1B3J28fcHyG
InChI InChI=1S/C11H8Cl6O4/c1-20-7(18)3-4(8(19)21-2)10(15)6(13)5(12)9(3,14)11(10,16)17/h3-4H,1-2H3/t3-,4-,9-,10+/m1/s1
InChIKey MDHHRPHYYRMIPH-ZRTPLJNASA-N
Mol Weight 416.9 g/mol
Molecular Formula C11H8Cl6O4
Exact Mass 413.855375 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 30VxrNYqAZb
Name Dimethyl 1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
CAS Registry Number 54002-92-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H8Cl6O4
InChI InChI=1S/C11H8Cl6O4/c1-20-7(18)3-4(8(19)21-2)10(15)6(13)5(12)9(3,14)11(10,16)17/h3-4H,1-2H3/t3-,4-,9-,10+/m1/s1
InChIKey MDHHRPHYYRMIPH-ZRTPLJNASA-N
Molecular Weight 416.899 g/mol
SMILES C([C@@]1([C@@]2(Cl)C([C@]([C@]1(C(OC)=O)[H])(Cl)C(=C2Cl)Cl)(Cl)Cl)[H])(OC)=O
SPLASH splash10-03di-0495000000-c68244a36e9ed9dd35ae
Source of Spectrum W5-1989-38748-26788
Synonyms 1,2,3,4,7,7-hexachlorobicyclo[2.2.1]hept-2-ene-5,6-dicarboxylic acid dimethyl ester Dimethyl 1,2,3,4,7,7-hexachlorobicyclo[2.2.1]hept-2-ene-5,6-dicarboxylate Dimethyl 1,2,3,4,7,7-hexakis(chloranyl)bicyclo[2.2.1]hept-2-ene-5,6-dicarboxylate
Wiley ID 1375130