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(R)-[(4S,5S)-5-[(Z)-8-(2-hexyl-1,3-dioxolan-2-yl)oct-1-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R)-4-methyl-2-(trichloromethyl)-2-oxazolin-4-yl]methanol

View entire compound with spectra: 1 MS (GC)

(R)-[(4S,5S)-5-[(Z)-8-(2-hexyl-1,3-dioxolan-2-yl)oct-1-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R)-4-methyl-2-(trichloromethyl)-2-oxazolin-4-yl]methanol
SpectraBase Compound ID ISemIY2yDnF
InChI InChI=1S/C28H46Cl3NO6/c1-5-6-7-13-16-27(35-18-19-36-27)17-14-11-9-8-10-12-15-21-22(38-25(2,3)37-21)23(33)26(4)20-34-24(32-26)28(29,30)31/h12,15,21-23,33H,5-11,13-14,16-20H2,1-4H3/b15-12-/t21-,22+,23-,26+/m0/s1
InChIKey NSIBVIVDMWUPAC-JSQQAFPGSA-N
Mol Weight 599.0 g/mol
Molecular Formula C28H46Cl3NO6
Exact Mass 597.239071 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BdALcumnzyB
Name (R)-[(4S,5S)-5-[(Z)-8-(2-hexyl-1,3-dioxolan-2-yl)oct-1-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R)-4-methyl-2-(trichloromethyl)-2-oxazolin-4-yl]methanol
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H46Cl3NO6
InChI InChI=1S/C28H46Cl3NO6/c1-5-6-7-13-16-27(35-18-19-36-27)17-14-11-9-8-10-12-15-21-22(38-25(2,3)37-21)23(33)26(4)20-34-24(32-26)28(29,30)31/h12,15,21-23,33H,5-11,13-14,16-20H2,1-4H3/b15-12-/t21-,22+,23-,26+/m0/s1
InChIKey NSIBVIVDMWUPAC-JSQQAFPGSA-N
Molecular Weight 599.036 g/mol
SMILES O[C@@]([C@@]1(OC(C)(C)O[C@]1(\C=C/CCCCCCC1(OCCO1)CCCCCC)[H])[H])([C@@]1(N=C(C(Cl)(Cl)Cl)OC1)C)[H]
SPLASH splash10-0a4i-1900000000-7e6ee4d104572fabd7ee
Source of Spectrum J-65-9118-19
Synonyms (R)-[(4S,5S)-5-[(Z)-8-(2-hexyl-1,3-dioxolan-2-yl)oct-1-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R)-4-methyl-2-(trichloromethyl)-5H-1,3-oxazol-4-yl]methanol (R)-[(4S,5S)-5-[(Z)-8-(2-hexyl-1,3-dioxolan-2-yl)oct-1-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R)-4-methyl-2-(trichloromethyl)-5H-oxazol-4-yl]methanol
Wiley ID 1534060