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(3R,5R)-3-Acetoxy-5-phenylsulfanyl-1,9-dioxaspiro[5.5]undecane
SpectraBase Compound ID 9T0qBAP7dJR
InChI InChI=1S/C17H22O4S/c1-13(18)21-14-11-16(22-15-5-3-2-4-6-15)17(20-12-14)7-9-19-10-8-17/h2-6,14,16H,7-12H2,1H3/t14-,16-/m1/s1
InChIKey KCAGBLIMIIHWBX-GDBMZVCRSA-N
Mol Weight 322.42 g/mol
Molecular Formula C17H22O4S
Exact Mass 322.12388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HfS13qe4YSf
Name (3R,5R)-3-Acetoxy-5-phenylsulfanyl-1,9-dioxaspiro[5.5]undecane
Alternate Name(s) (3R,5R)-5-(phenylsulfanyl)-1,9-dioxaspiro[5.5]undec-3-yl acetate (3R,5S)-3-Acetoxy-5-phenylsulfanyl-1,9-dioxaspiro[5.5]undecane Acetic acid[(7R,9R)-7-(phenylthio)-3,11-dioxaspiro[5.5]undecan-9-yl]ester [(7R,9R)-7-phenylsulfanyl-3,11-dioxaspiro[5.5]undecan-9-yl]acetate [(7R,9R)-7-phenylsulfanyl-3,11-dioxaspiro[5.5]undecan-9-yl]ethanoate [(3R,5R)-5-phenylsulfanyl-1,9-dioxaspiro[5.5]undecan-3-yl] acetate [(3R,5R)-5-phenylsulfanyl-1,9-dioxaspiro[5.5]undecan-3-yl] ethanoate
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Formula C17H22O4S
InChI InChI=1S/C17H22O4S/c1-13(18)21-14-11-16(22-15-5-3-2-4-6-15)17(20-12-14)7-9-19-10-8-17/h2-6,14,16H,7-12H2,1H3/t14-,16-/m1/s1
InChIKey KCAGBLIMIIHWBX-GDBMZVCRSA-N
Molecular Weight 322.419 g/mol
SMILES C12([C@](Sc3ccccc3)(C[C@](CO1)(OC(=O)C)[H])[H])CCOCC2
SPLASH splash10-014i-9503000000-16d446a2c2d62dcdd37b
Source of Spectrum K-2002-2651-21
Wiley ID 1613239