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(4S,6S)-4-(1',3'-Dithian-2'-ylmethyl)-2,2-dimethyl-6-[2-(phenylsulfonyl)ethyl]-1,3-dioxane
SpectraBase Compound ID BFashZ83KgB
InChI InChI=1S/C19H28O4S3/c1-19(2)22-15(9-12-26(20,21)17-7-4-3-5-8-17)13-16(23-19)14-18-24-10-6-11-25-18/h3-5,7-8,15-16,18H,6,9-14H2,1-2H3/t15-,16+/m1/s1
InChIKey RYRIVBGBPAOOCD-CVEARBPZSA-N
Mol Weight 416.61 g/mol
Molecular Formula C19H28O4S3
Exact Mass 416.114973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9jmCqYCUkqK
Name (4S,6S)-4-(1',3'-Dithian-2'-ylmethyl)-2,2-dimethyl-6-[2-(phenylsulfonyl)ethyl]-1,3-dioxane
Alternate Name(s) (4S,6S)-4-(1,3-dithian-2-ylmethyl)-2,2-dimethyl-6-[2-(phenylsulfonyl)ethyl]-1,3-dioxane 2-[(4S,6S)-6-(1,3-dithian-2-ylmethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethyl phenyl sulfone
Comments Less than 3 mono-isotopic peaks
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Formula C19H28O4S3
InChI InChI=1S/C19H28O4S3/c1-19(2)22-15(9-12-26(20,21)17-7-4-3-5-8-17)13-16(23-19)14-18-24-10-6-11-25-18/h3-5,7-8,15-16,18H,6,9-14H2,1-2H3/t15-,16+/m1/s1
InChIKey RYRIVBGBPAOOCD-CVEARBPZSA-N
Molecular Weight 416.609 g/mol
SMILES C(S(=O)(=O)c1ccccc1)C[C@]1(OC(C)(C)O[C@@](C1)(CC1SCCCS1)[H])[H]
SPLASH splash10-014i-0900000000-93d93cd7920b35aac741
Source of Spectrum KC-1993-1515-41
Wiley ID 778160