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(S)-4-Phenyl-5-[3-(methoxycarbonyl)propyl][2,1,3]thiadioxole 2,2-dione
SpectraBase Compound ID FS7RDVrTpAJ
InChI InChI=1S/C13H16O6S/c1-17-12(14)9-5-8-11-13(19-20(15,16)18-11)10-6-3-2-4-7-10/h2-4,6-7,11,13H,5,8-9H2,1H3/t11-,13-/m0/s1
InChIKey AOSCUDYRZPVEOP-AAEUAGOBSA-N
Mol Weight 300.33 g/mol
Molecular Formula C13H16O6S
Exact Mass 300.066759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FwoYX16mHUk
Name (S)-4-Phenyl-5-[3-(methoxycarbonyl)propyl][2,1,3]thiadioxole 2,2-dione
Alternate Name(s) (5S,6R)-4-Phenyl-5-[3-(methoxycarbonyl)propyl][2,1,3]thiadioxole 2,2-dione Methyl 4-[(4S)-2,2-dioxido-5-phenyl-1,3,2-dioxathiolan-4-yl]butanoate
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Formula C13H16O6S
InChI InChI=1S/C13H16O6S/c1-17-12(14)9-5-8-11-13(19-20(15,16)18-11)10-6-3-2-4-7-10/h2-4,6-7,11,13H,5,8-9H2,1H3/t11-,13-/m0/s1
InChIKey AOSCUDYRZPVEOP-AAEUAGOBSA-N
Molecular Weight 300.325 g/mol
SMILES [C@@]1(OS(O[C@]1(CCCC(=O)OC)[H])(=O)=O)(c1ccccc1)[H]
SPLASH splash10-05fr-0090000000-7ce11a6f42b88f112f3b
Source of Spectrum Y1-37-216-4
Wiley ID 1527328