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1-[2',3'-Dihydroxy-3'-(4'-nitrophenyl)-1'-oxopropyl]-1,4,5,6,7,7a-hexahydro-8,8-dimethyl-3H-3a,6-methano2.1]benzisothiazole]-2,2-dioxide

View entire compound with spectra: 1 MS (GC)

1-[2',3'-Dihydroxy-3'-(4'-nitrophenyl)-1'-oxopropyl]-1,4,5,6,7,7a-hexahydro-8,8-dimethyl-3H-3a,6-methano2.1]benzisothiazole]-2,2-dioxide
SpectraBase Compound ID 38ZNlq0kILJ
InChI InChI=1S/C19H24N2O7S/c1-18(2)12-7-8-19(18)10-29(27,28)20(14(19)9-12)17(24)16(23)15(22)11-3-5-13(6-4-11)21(25)26/h3-6,12,14-16,22-23H,7-10H2,1-2H3/t12-,14?,15?,16?,19-/m1/s1
InChIKey MHSSXRHNKXWJQG-SLFWBCJCSA-N
Mol Weight 424.47 g/mol
Molecular Formula C19H24N2O7S
Exact Mass 424.130422 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1PKx3CFhNQ
Name 1-[2',3'-Dihydroxy-3'-(4'-nitrophenyl)-1'-oxopropyl]-1,4,5,6,7,7a-hexahydro-8,8-dimethyl-3H-3a,6-methano2.1]benzisothiazole]-2,2-dioxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H24N2O7S
InChI InChI=1S/C19H24N2O7S/c1-18(2)12-7-8-19(18)10-29(27,28)20(14(19)9-12)17(24)16(23)15(22)11-3-5-13(6-4-11)21(25)26/h3-6,12,14-16,22-23H,7-10H2,1-2H3/t12-,14?,15?,16?,19-/m1/s1
InChIKey MHSSXRHNKXWJQG-SLFWBCJCSA-N
Molecular Weight 424.468 g/mol
SMILES OC(C(C(N1S(C[C@@]23C([C@](CC3)(CC12)[H])(C)C)(=O)=O)=O)O)c1ccc(N(=O)=O)cc1
SPLASH splash10-052o-9700000000-67e75b16552b1c4d7241
Source of Spectrum H-81-1275-2
Synonyms 3-(10,10-dimethyl-3,3-dioxido-3-thia-4-azatricyclo[5.2.1.0(1,5)]dec-4-yl)-1-(4-nitrophenyl)-3-oxo-1,2-propanediol
Wiley ID 1379150