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(1S*,2S*,4S*,6R*,8R*,9R*)-1,9,10,11-Tetrachloro-5-isopropyl-12,12-dimethoxy-2-methyl-5-oxatricyclo[7.2.1.0(2,8).0(4,6)]dodec-10-ene-3,7-dione
SpectraBase Compound ID KFopyOvPPaJ
InChI InChI=1S/C17H18Cl4O5/c1-6(2)14-10(22)7-13(3,11(23)12(14)26-14)16(21)9(19)8(18)15(7,20)17(16,24-4)25-5/h6-7,12H,1-5H3/t7?,12?,13-,14-,15+,16+/m1/s1
InChIKey VAWJZBPTRSYTMY-QLTUACRGSA-N
Mol Weight 444.1 g/mol
Molecular Formula C17H18Cl4O5
Exact Mass 441.990834 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2EPw7NhSkq
Name (1S*,2S*,4S*,6R*,8R*,9R*)-1,9,10,11-Tetrachloro-5-isopropyl-12,12-dimethoxy-2-methyl-5-oxatricyclo[7.2.1.0(2,8).0(4,6)]dodec-10-ene-3,7-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18Cl4O5
InChI InChI=1S/C17H18Cl4O5/c1-6(2)14-10(22)7-13(3,11(23)12(14)26-14)16(21)9(19)8(18)15(7,20)17(16,24-4)25-5/h6-7,12H,1-5H3/t7?,12?,13-,14-,15+,16+/m1/s1
InChIKey VAWJZBPTRSYTMY-QLTUACRGSA-N
Molecular Weight 444.138 g/mol
SMILES [C@@]12(C([C@@](Cl)(C(=C2Cl)Cl)C2[C@@]1(C(C1[C@@](C(C)C)(C2=O)O1)=O)C)(OC)OC)Cl
SPLASH splash10-0a4i-3020900000-8eb1a74e2978e69a7d31
Source of Spectrum AH-125-1000-13
Wiley ID 1385187