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1,4,5,6,7,7a-Hexahydro-1-[3'-(4''-nitrophenyl)-1'-oxoprop-2'-enyl]-8,8-dimethyl-3H-3a,6-methano2.1]benzisothiazole]-2,2-dioxide

View entire compound with spectra: 1 MS (GC)

1,4,5,6,7,7a-Hexahydro-1-[3'-(4''-nitrophenyl)-1'-oxoprop-2'-enyl]-8,8-dimethyl-3H-3a,6-methano2.1]benzisothiazole]-2,2-dioxide
SpectraBase Compound ID Bfc7syf0sRR
InChI InChI=1S/C19H22N2O5S/c1-18(2)14-9-10-19(18)12-27(25,26)20(16(19)11-14)17(22)8-5-13-3-6-15(7-4-13)21(23)24/h3-8,14,16H,9-12H2,1-2H3/b8-5+/t14-,16?,19-/m0/s1
InChIKey AOCGPMZWFAHDQM-ZSVBZDDJSA-N
Mol Weight 390.45 g/mol
Molecular Formula C19H22N2O5S
Exact Mass 390.124943 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dbvh0wxpTdJ
Name 1,4,5,6,7,7a-Hexahydro-1-[3'-(4''-nitrophenyl)-1'-oxoprop-2'-enyl]-8,8-dimethyl-3H-3a,6-methano2.1]benzisothiazole]-2,2-dioxide
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Formula C19H22N2O5S
InChI InChI=1S/C19H22N2O5S/c1-18(2)14-9-10-19(18)12-27(25,26)20(16(19)11-14)17(22)8-5-13-3-6-15(7-4-13)21(23)24/h3-8,14,16H,9-12H2,1-2H3/b8-5+/t14-,16?,19-/m0/s1
InChIKey AOCGPMZWFAHDQM-ZSVBZDDJSA-N
Molecular Weight 390.454 g/mol
SMILES C12N(S(C[C@]11C([C@](C2)(CC1)[H])(C)C)(=O)=O)C(\C=C\c1ccc(N(=O)=O)cc1)=O
SPLASH splash10-004i-0900000000-c999e1f190ddb1bc9e8f
Source of Spectrum H-81-1273-1
Synonyms 1,4,5,6,7,7a-hexahydro-1-[3'-(4''-nitrophenyl)-1'-oxoprop-2'-enyl]-8,8-dimethyl-3H-3a,6-methano2.1]benzisothiazole]-2,2-dioxide 10,10-dimethyl-4-[(2E)-3-(4-nitrophenyl)-2-propenoyl]-3-thia-4-azatricyclo[5.2.1.0(1,5)]decane 3,3-dioxide
Wiley ID 1364666