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(1S*,2S*,5S*,7R*,8R*)-1,8,9,10-Tetrachloro-5-hydroxy-5-isopropyl-11,11-dimethoxy-2-methyltricyclo[6.2.1.0(2,7)]undec-9-ene-3,6-dione

View entire compound with spectra: 1 MS (GC)

(1S*,2S*,5S*,7R*,8R*)-1,8,9,10-Tetrachloro-5-hydroxy-5-isopropyl-11,11-dimethoxy-2-methyltricyclo[6.2.1.0(2,7)]undec-9-ene-3,6-dione
SpectraBase Compound ID I89RLTmazAp
InChI InChI=1S/C17H20Cl4O5/c1-7(2)14(24)6-8(22)13(3)9(12(14)23)15(20)10(18)11(19)16(13,21)17(15,25-4)26-5/h7,9,24H,6H2,1-5H3/t9-,13+,14-,15-,16-/m0/s1
InChIKey GVTDNRJCLRNUIT-WEFBFVBLSA-N
Mol Weight 446.2 g/mol
Molecular Formula C17H20Cl4O5
Exact Mass 444.006485 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4WjiAnWWlAb
Name (1S*,2S*,5S*,7R*,8R*)-1,8,9,10-Tetrachloro-5-hydroxy-5-isopropyl-11,11-dimethoxy-2-methyltricyclo[6.2.1.0(2,7)]undec-9-ene-3,6-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20Cl4O5
InChI InChI=1S/C17H20Cl4O5/c1-7(2)14(24)6-8(22)13(3)9(12(14)23)15(20)10(18)11(19)16(13,21)17(15,25-4)26-5/h7,9,24H,6H2,1-5H3/t9-,13+,14-,15-,16-/m0/s1
InChIKey GVTDNRJCLRNUIT-WEFBFVBLSA-N
Molecular Weight 446.154 g/mol
SMILES O[C@@]1(CC([C@]2([C@@]3(C([C@@](Cl)(C(=C3Cl)Cl)[C@]2(C1=O)[H])(OC)OC)Cl)C)=O)C(C)C
SPLASH splash10-06dl-9050200000-35e2a355da3bc2f47ada
Source of Spectrum AH-125-998-16
Synonyms (1S,2S,5S,7R,8R)-1,8,9,10-tetrachloro-5-hydroxy-5-isopropyl-11,11-dimethoxy-2-methyltricyclo[6.2.1.0(2,7)]undec-9-ene-3,6-dione
Wiley ID 1385857