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2,2-Dimethyl-propionic acid (S)-2-hydroxy-4-((1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-cyclohexyl)-butyl ester
SpectraBase Compound ID Djwp4F8VTGZ
InChI InChI=1S/C18H34O4/c1-12-9-14(20)10-18(5,6)15(12)8-7-13(19)11-22-16(21)17(2,3)4/h12-15,19-20H,7-11H2,1-6H3/t12-,13+,14+,15+/m1/s1
InChIKey ICYGZHIFMIZJSF-QPSCCSFWSA-N
Mol Weight 314.5 g/mol
Molecular Formula C18H34O4
Exact Mass 314.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID InJG6IFfP65
Name 2,2-Dimethyl-propionic acid (S)-2-hydroxy-4-((1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-cyclohexyl)-butyl ester
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Formula C18H34O4
InChI InChI=1S/C18H34O4/c1-12-9-14(20)10-18(5,6)15(12)8-7-13(19)11-22-16(21)17(2,3)4/h12-15,19-20H,7-11H2,1-6H3/t12-,13+,14+,15+/m1/s1
InChIKey ICYGZHIFMIZJSF-QPSCCSFWSA-N
Molecular Weight 314.466 g/mol
SMILES O[C@@]1(CC([C@@](CC[C@@](COC(C(C)(C)C)=O)(O)[H])([C@@](C1)(C)[H])[H])(C)C)[H]
SPLASH splash10-0a4i-9000000000-5e24ec2601dafc595b9d
Source of Spectrum G4-70-582-2a
Synonyms 3,3,5-Trimethyl-4-[4'-(pivaloyloxy)-3'-hydroxybutyl]-cyclohexan-1-ol 2,2-Dimethylpropanoic acid [(2S)-2-hydroxy-4-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethylcyclohexyl]butyl] ester [(2S)-2-hydroxy-4-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethylcyclohexyl]butyl] 2,2-dimethylpropanoate [(2S)-2-hydroxy-4-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-cyclohexyl]butyl] 2,2-dimethylpropanoate [(2S)-2-oxidanyl-4-[(1S,4S,6R)-2,2,6-trimethyl-4-oxidanyl-cyclohexyl]butyl] 2,2-dimethylpropanoate
Wiley ID 1694736