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(1S*,3R*,4S*,,5S*,7S*,8R*,9S*,12R*)-4,5,7-Trichloro-3-ethoxy-12-isopropyl-6,6-dimethoxy-9-methyl-2-oxatetracyclo[6.4.0.0(3,7).0(5,9)]dodecan-10-one
SpectraBase Compound ID A7v8bNx90FN
InChI InChI=1S/C19H27Cl3O5/c1-7-26-18-14(20)17(22)15(4)11(23)8-10(9(2)3)12(27-18)13(15)16(18,21)19(17,24-5)25-6/h9-10,12-14H,7-8H2,1-6H3/t10-,12+,13-,14-,15-,16+,17+,18+/m1/s1
InChIKey BZVZMACKBFGUOV-INMCFXHUSA-N
Mol Weight 441.78 g/mol
Molecular Formula C19H27Cl3O5
Exact Mass 440.092407 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AW42ONKtliy
Name (1S*,3R*,4S*,,5S*,7S*,8R*,9S*,12R*)-4,5,7-Trichloro-3-ethoxy-12-isopropyl-6,6-dimethoxy-9-methyl-2-oxatetracyclo[6.4.0.0(3,7).0(5,9)]dodecan-10-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H27Cl3O5
InChI InChI=1S/C19H27Cl3O5/c1-7-26-18-14(20)17(22)15(4)11(23)8-10(9(2)3)12(27-18)13(15)16(18,21)19(17,24-5)25-6/h9-10,12-14H,7-8H2,1-6H3/t10-,12+,13-,14-,15-,16+,17+,18+/m1/s1
InChIKey BZVZMACKBFGUOV-INMCFXHUSA-N
Molecular Weight 441.779 g/mol
SMILES [C@@]12([C@@]3([C@](Cl)([C@](C2(OC)OC)(Cl)[C@]2([C@]1([C@@]([C@](CC2=O)(C(C)C)[H])([H])O3)[H])C)[H])OCC)Cl
SPLASH splash10-0zfr-4019400000-dbde7245125ef4767430
Source of Spectrum AH-125-1001-5
Wiley ID 1384557