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(1S,3S,5R)-5-hydroxy-3-butanoyloxy-1-(methoxycarbonyl)cyclohexane
SpectraBase Compound ID 9VVCT6Zl61w
InChI InChI=1S/C12H20O5/c1-3-4-11(14)17-10-6-8(12(15)16-2)5-9(13)7-10/h8-10,13H,3-7H2,1-2H3/t8-,9+,10-/m0/s1
InChIKey LWWVPNYAPQTPLI-AEJSXWLSSA-N
Mol Weight 244.29 g/mol
Molecular Formula C12H20O5
Exact Mass 244.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GW40HEdvDXg
Name (1S,3S,5R)-5-hydroxy-3-butanoyloxy-1-(methoxycarbonyl)cyclohexane
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Formula C12H20O5
InChI InChI=1S/C12H20O5/c1-3-4-11(14)17-10-6-8(12(15)16-2)5-9(13)7-10/h8-10,13H,3-7H2,1-2H3/t8-,9+,10-/m0/s1
InChIKey LWWVPNYAPQTPLI-AEJSXWLSSA-N
Molecular Weight 244.287 g/mol
SMILES O[C@]1(C[C@](C[C@@](C(=O)OC)(C1)[H])(OC(=O)CCC)[H])[H]
SPLASH splash10-0573-0900000000-0e8614cb37fe550d65a7
Source of Spectrum QC-11-3897-22
Synonyms Methyl (1S,3S,5R)-3-(butyryloxy)-5-hydroxycyclohexanecarboxylate
Wiley ID 860134