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(1S,3S,4R,5R)-5-hydroxy-3-butanoyloxy-4-ethyl-1-(methoxycarbonyl)cyclohexane
SpectraBase Compound ID 3OhbVtg6HOy
InChI InChI=1S/C14H24O5/c1-4-6-13(16)19-12-8-9(14(17)18-3)7-11(15)10(12)5-2/h9-12,15H,4-8H2,1-3H3/t9-,10+,11+,12-/m0/s1
InChIKey FVBBVKSWFDUIHQ-QCNOEVLYSA-N
Mol Weight 272.34 g/mol
Molecular Formula C14H24O5
Exact Mass 272.162374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CqBruckP6Q7
Name (1S,3S,4R,5R)-5-hydroxy-3-butanoyloxy-4-ethyl-1-(methoxycarbonyl)cyclohexane
Alternate Name(s) (1S,3S,4R,5R)-3-Butanoyloxy-4-ethyl-5-hydroxy-1-(methoxycarbonyl)cyclohexane Methyl (1S,3S,4R,5R)-3-(butyryloxy)-4-ethyl-5-hydroxycyclohexanecarboxylate
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Formula C14H24O5
InChI InChI=1S/C14H24O5/c1-4-6-13(16)19-12-8-9(14(17)18-3)7-11(15)10(12)5-2/h9-12,15H,4-8H2,1-3H3/t9-,10+,11+,12-/m0/s1
InChIKey FVBBVKSWFDUIHQ-QCNOEVLYSA-N
Molecular Weight 272.341 g/mol
SMILES O[C@]1([C@]([C@](C[C@@](C(=O)OC)(C1)[H])(OC(=O)CCC)[H])(CC)[H])[H]
SPLASH splash10-006x-9700000000-f088890aae902f566a72
Source of Spectrum QE-19-168-8
Wiley ID 1584986