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

View entire compound with spectra: 2 MS (GC)

(1S*,2S*,5R*,7R*,8R*)-1,8,9,10-Tetrachloro-5-isopropyl-11,11-dimethoxy-2-methyltricyclo[6.2.1.0(2,7)]undec-9-ene-3,6-dione
SpectraBase Compound ID GvXhLK7W7hB
InChI InChI=1S/C17H20Cl4O4/c1-7(2)8-6-9(22)14(3)11(10(8)23)15(20)12(18)13(19)16(14,21)17(15,24-4)25-5/h7-8,11H,6H2,1-5H3/t8-,11+,14-,15+,16+/m1/s1
InChIKey VKXPVJAQITXJBP-XWSITRORSA-N
Mol Weight 430.2 g/mol
Molecular Formula C17H20Cl4O4
Exact Mass 428.01157 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3oyRqMI8z64
Name (1S*,2S*,5R*,7R*,8R*)-1,8,9,10-Tetrachloro-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 C17H20Cl4O4
InChI InChI=1S/C17H20Cl4O4/c1-7(2)8-6-9(22)14(3)11(10(8)23)15(20)12(18)13(19)16(14,21)17(15,24-4)25-5/h7-8,11H,6H2,1-5H3/t8-,11+,14-,15+,16+/m1/s1
InChIKey VKXPVJAQITXJBP-XWSITRORSA-N
Molecular Weight 430.155 g/mol
SMILES [C@@]12(C([C@@](Cl)(C(=C2Cl)Cl)[C@@]2([C@]1(C(C[C@](C(C)C)(C2=O)[H])=O)C)[H])(OC)OC)Cl
SPLASH splash10-014m-0079000000-c5e3dbdc10d0ee0eae33
Source of Spectrum AH-125-998-3
Synonyms (1S,2S,5R,7R,8R)-1,8,9,10-tetrachloro-5-isopropyl-11,11-dimethoxy-2-methyltricyclo[6.2.1.0(2,7)]undec-9-ene-3,6-dione
Wiley ID 1380545