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[2S-(1E,2.alpha.,3.alpha.,5.alpha.)]-[3,5-bis(acetyloxy)-2-[[(2,2,2-trichloroethoxy0carbonyl]oxy]-2-methylcyclohexylidene]acetic acid ethyl ester

View entire compound with spectra: 1 MS (GC)

[2S-(1E,2.alpha.,3.alpha.,5.alpha.)]-[3,5-bis(acetyloxy)-2-[[(2,2,2-trichloroethoxy0carbonyl]oxy]-2-methylcyclohexylidene]acetic acid ethyl ester
SpectraBase Compound ID 81ZqQ1Boa5N
InChI InChI=1S/C18H23Cl3O9/c1-5-26-15(24)7-12-6-13(28-10(2)22)8-14(29-11(3)23)17(12,4)30-16(25)27-9-18(19,20)21/h7,13-14H,5-6,8-9H2,1-4H3/b12-7+/t13-,14-,17-/m0/s1
InChIKey LUXZZCDZCZNFCJ-VKCALAGVSA-N
Mol Weight 489.73 g/mol
Molecular Formula C18H23Cl3O9
Exact Mass 488.040765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Flg0REEjKJD
Name [2S-(1E,2.alpha.,3.alpha.,5.alpha.)]-[3,5-bis(acetyloxy)-2-[[(2,2,2-trichloroethoxy0carbonyl]oxy]-2-methylcyclohexylidene]acetic acid ethyl ester
Alternate Name(s) Ethyl (2E)-((2S,3S,5S)-3,5-bis(acetyloxy)-2-methyl-2-{[(2,2,2-trichloroethoxy)carbonyl]oxy}cyclohexylidene)ethanoate
CAS Registry Number 123836-54-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H23Cl3O9
InChI InChI=1S/C18H23Cl3O9/c1-5-26-15(24)7-12-6-13(28-10(2)22)8-14(29-11(3)23)17(12,4)30-16(25)27-9-18(19,20)21/h7,13-14H,5-6,8-9H2,1-4H3/b12-7+/t13-,14-,17-/m0/s1
InChIKey LUXZZCDZCZNFCJ-VKCALAGVSA-N
Molecular Weight 489.732 g/mol
SMILES [C@@]1(\C(C[C@@](C[C@@]1(OC(=O)C)[H])(OC(=O)C)[H])=C\C(=O)OCC)(OC(=O)OCC(Cl)(Cl)Cl)C
SPLASH splash10-002f-7900000000-b89dd2967f419ac5b63a
Source of Spectrum J-55-245-5
Wiley ID 1396781