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1,4,5,6,7,7a-Hexahydro-1-[3'-(4''-methoxyphenyl)-1'-oxoprop-2'-enyl]-8,8-dimethyl-3H-3a,6-methano2.1]benzisothiazole]-2,2-dioxide
SpectraBase Compound ID J6GJ8aihN45
InChI InChI=1S/C20H25NO4S/c1-19(2)15-10-11-20(19)13-26(23,24)21(17(20)12-15)18(22)9-6-14-4-7-16(25-3)8-5-14/h4-9,15,17H,10-13H2,1-3H3/b9-6+/t15-,17?,20-/m1/s1
InChIKey FWQDWPHDBOEWMI-YBEUHDSRSA-N
Mol Weight 375.48 g/mol
Molecular Formula C20H25NO4S
Exact Mass 375.150429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LKQzeVl0w6m
Name 1,4,5,6,7,7a-Hexahydro-1-[3'-(4''-methoxyphenyl)-1'-oxoprop-2'-enyl]-8,8-dimethyl-3H-3a,6-methano2.1]benzisothiazole]-2,2-dioxide
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Formula C20H25NO4S
InChI InChI=1S/C20H25NO4S/c1-19(2)15-10-11-20(19)13-26(23,24)21(17(20)12-15)18(22)9-6-14-4-7-16(25-3)8-5-14/h4-9,15,17H,10-13H2,1-3H3/b9-6+/t15-,17?,20-/m1/s1
InChIKey FWQDWPHDBOEWMI-YBEUHDSRSA-N
Molecular Weight 375.483 g/mol
SMILES C12N(S(C[C@@]11C([C@@](C2)(CC1)[H])(C)C)(=O)=O)C(\C=C\c1ccc(cc1)OC)=O
SPLASH splash10-03di-0900000000-a2523f4c7242e945a2d0
Source of Spectrum H-81-1273-1
Synonyms 1,4,5,6,7,7a-hexahydro-1-[3'-(4''-methoxyphenyl)-1'-oxoprop-2'-enyl]-8,8-dimethyl-3H-3a,6-methano2.1]benzisothiazole]-2,2-dioxide 4-[(1E)-3-(10,10-dimethyl-3,3-dioxido-3-thia-4-azatricyclo[5.2.1.0(1,5)]dec-4-yl)-3-oxo-1-propenyl]phenyl methyl ether 4-[(2E)-3-(4-methoxyphenyl)-2-propenoyl]-10,10-dimethyl-3-thia-4-azatricyclo[5.2.1.0(1,5)]decane 3,3-dioxide
Wiley ID 1357163