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Spiro[1,3-dioxane-2,7'(4'H)-[3H-3a,6]methano[2,1]benzisothiazole], 5',6'-dihydro-8',8'-dimethyl-, 2',2'-dioxide, (3'aS)-
SpectraBase Compound ID DZlHWN51XAb
InChI InChI=1S/C13H19NO4S/c1-11(2)9-4-5-12(11)8-19(15,16)14-10(12)13(9)17-6-3-7-18-13/h9H,3-8H2,1-2H3/t9-,12+/m0/s1
InChIKey OTUOKQBJAZPXNE-JOYOIKCWSA-N
Mol Weight 285.36 g/mol
Molecular Formula C13H19NO4S
Exact Mass 285.103479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6nOsZJLzDo
Name Spiro[1,3-dioxane-2,7'(4'H)-[3H-3a,6]methano[2,1]benzisothiazole], 5',6'-dihydro-8',8'-dimethyl-, 2',2'-dioxide, (3'aS)-
Alternate Name(s) (1'S)-10',10'-dimethyl-3'-thia-4'-azaspiro[1,3-dioxane-2,6'-tricyclo[5.2.1.0(1,5)]decan]-4'-ene-3',3'-dione (3aS)-8,8-dimethyl-5,6-dihydro-3H,4H,7H-3a,6-methano-2,1-benzisothiazole-7-spiro-2'-1',3'-dioxane 2,2-dioxide
CAS Registry Number 131878-39-2
Comments Less than 3 mono-isotopic peaks
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Formula C13H19NO4S
InChI InChI=1S/C13H19NO4S/c1-11(2)9-4-5-12(11)8-19(15,16)14-10(12)13(9)17-6-3-7-18-13/h9H,3-8H2,1-2H3/t9-,12+/m0/s1
InChIKey OTUOKQBJAZPXNE-JOYOIKCWSA-N
Molecular Weight 285.358 g/mol
SMILES C=12[C@]3(C(C)(C)[C@@](C22OCCCO2)(CC3)[H])CS(N1)(=O)=O
SPLASH splash10-0006-0920000000-0116f8614450f41cb0e7
Source of Spectrum KC-1990-2926-17
Wiley ID 1288776