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anti-(3S,4R)-3-Methyl-4-phenylsulfanyl-1-oxaspiro[4.11]hexadecane-2-one
SpectraBase Compound ID 3zLVDfcteeY
InChI InChI=1S/C22H32O2S/c1-18-20(25-19-14-10-9-11-15-19)22(24-21(18)23)16-12-7-5-3-2-4-6-8-13-17-22/h9-11,14-15,18,20H,2-8,12-13,16-17H2,1H3/t18-,20-/m1/s1
InChIKey GJHUQXBKMZXBMX-UYAOXDASSA-N
Mol Weight 360.6 g/mol
Molecular Formula C22H32O2S
Exact Mass 360.212301 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2uguveDwuAM
Name anti-(3S,4R)-3-Methyl-4-phenylsulfanyl-1-oxaspiro[4.11]hexadecane-2-one
Alternate Name(s) (3S,4R)-3-methyl-4-(phenylsulfanyl)-1-oxaspiro[4.11]hexadecan-2-one (3S,4R)-3-methyl-4-phenylsulfanyl-1-oxaspiro[4.11]hexadecan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H32O2S
InChI InChI=1S/C22H32O2S/c1-18-20(25-19-14-10-9-11-15-19)22(24-21(18)23)16-12-7-5-3-2-4-6-8-13-17-22/h9-11,14-15,18,20H,2-8,12-13,16-17H2,1H3/t18-,20-/m1/s1
InChIKey GJHUQXBKMZXBMX-UYAOXDASSA-N
Molecular Weight 360.556 g/mol
SMILES C1([C@@]([C@@](Sc2ccccc2)(C2(O1)CCCCCCCCCCC2)[H])(C)[H])=O
SPLASH splash10-0w29-0907000000-14ec85b65ddfdddcb1a3
Source of Spectrum KC-0-2416-22
Wiley ID 784304