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(1R,3R,4S,5S)-3,5-Dibutanoyloxy-4-ethyl-1-(methoxycarbonyl)cyclohexane

View entire compound with spectra: 1 MS (GC)

(1R,3R,4S,5S)-3,5-Dibutanoyloxy-4-ethyl-1-(methoxycarbonyl)cyclohexane
SpectraBase Compound ID 98OmO87QfU1
InChI InChI=1S/C18H30O6/c1-5-8-16(19)23-14-10-12(18(21)22-4)11-15(13(14)7-3)24-17(20)9-6-2/h12-15H,5-11H2,1-4H3/t12-,13+,14+,15-
InChIKey XRNACOALHIJDRU-PYHGIMPFSA-N
Mol Weight 342.43 g/mol
Molecular Formula C18H30O6
Exact Mass 342.204239 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AnhZ2b74Rae
Name (1R,3R,4S,5S)-3,5-Dibutanoyloxy-4-ethyl-1-(methoxycarbonyl)cyclohexane
Alternate Name(s) all cis-3,5-Dibutanoyloxy-4-ethyl-1-(methoxycarbonyl)cyclohexane Methyl (3R,5S)-3,5-bis(butyryloxy)-4-ethylcyclohexanecarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H30O6
InChI InChI=1S/C18H30O6/c1-5-8-16(19)23-14-10-12(18(21)22-4)11-15(13(14)7-3)24-17(20)9-6-2/h12-15H,5-11H2,1-4H3/t12-,13+,14+,15-
InChIKey XRNACOALHIJDRU-PYHGIMPFSA-N
Molecular Weight 342.432 g/mol
SMILES [C@]1([C@]([C@@](OC(=O)CCC)(C[C@](C1)(C(=O)OC)[H])[H])(CC)[H])(OC(=O)CCC)[H]
SPLASH splash10-00di-8900000000-57862733a816e30c4c0c
Source of Spectrum QE-19-168-7
Wiley ID 1584987