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(3R,4R,Ss)-5,5-Ethylenedioxy-4-methyl-3-[(2,4,6-triisopropylphenyl)sulfinyl]-2-pentanone
SpectraBase Compound ID eUabIPbpjL
InChI InChI=1S/C23H36O4S/c1-13(2)18-11-19(14(3)4)22(20(12-18)15(5)6)28(25)21(17(8)24)16(7)23-26-9-10-27-23/h11-16,21,23H,9-10H2,1-8H3/t16-,21+,28?/m0/s1
InChIKey BREMCHFGYUAXCH-QHBMNDBXSA-N
Mol Weight 408.6 g/mol
Molecular Formula C23H36O4S
Exact Mass 408.233431 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6jKP0u8aOoG
Name (3R,4R,Ss)-5,5-Ethylenedioxy-4-methyl-3-[(2,4,6-triisopropylphenyl)sulfinyl]-2-pentanone
Alternate Name(s) (3R,4R,Rs)-5,5-Ethylenedioxy-4-methyl-3-[(2,4,6-triisopropylphenyl)sulfinyl]-2-pentanone (3S,4R)-4-(1,3-dioxolan-2-yl)-3-[(2,4,6-triisopropylphenyl)sulfinyl]-2-pentanone (3R,4R)-4-(1,3-dioxolan-2-yl)-3-[(R)-[2,4,6-tri(propan-2-yl)phenyl]sulfinyl]-2-pentanone (3R,4R)-4-(1,3-dioxolan-2-yl)-3-[(R)-[2,4,6-tri(propan-2-yl)phenyl]sulfinyl]pentan-2-one
Comments Less than 3 mono-isotopic peaks
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Formula C23H36O4S
InChI InChI=1S/C23H36O4S/c1-13(2)18-11-19(14(3)4)22(20(12-18)15(5)6)28(25)21(17(8)24)16(7)23-26-9-10-27-23/h11-16,21,23H,9-10H2,1-8H3/t16-,21+,28?/m0/s1
InChIKey BREMCHFGYUAXCH-QHBMNDBXSA-N
Molecular Weight 408.597 g/mol
SMILES c1([S@@]([C@]([C@@](C2OCCO2)(C)[H])(C(=O)C)[H])=O)c(cc(cc1C(C)C)C(C)C)C(C)C
SPLASH splash10-001i-0090000000-9bf33d152c7673c4fd43
Source of Spectrum AJ-71-2963-27
Wiley ID 774731