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1,4,5,6,7,7a-Hexahydro-1-[(2'R)-2'-hydroxy-2'-phenylacetyl]-8,8-dimethyl-3H-3a,6-methano[2.1]benzoisothiazole 2,2-dioxide

View entire compound with spectra: 1 MS (GC)

1,4,5,6,7,7a-Hexahydro-1-[(2'R)-2'-hydroxy-2'-phenylacetyl]-8,8-dimethyl-3H-3a,6-methano[2.1]benzoisothiazole 2,2-dioxide
SpectraBase Compound ID w128ZFMpTn
InChI InChI=1S/C18H23NO4S/c1-17(2)13-8-9-18(17)11-24(22,23)19(14(18)10-13)16(21)15(20)12-6-4-3-5-7-12/h3-7,13-15,20H,8-11H2,1-2H3/t13-,14-,15+,18-/m0/s1
InChIKey BBTFDQWONAJVOB-AFIMGQEJSA-N
Mol Weight 349.45 g/mol
Molecular Formula C18H23NO4S
Exact Mass 349.134779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A3ZToc2I0oe
Name 1,4,5,6,7,7a-Hexahydro-1-[(2'R)-2'-hydroxy-2'-phenylacetyl]-8,8-dimethyl-3H-3a,6-methano[2.1]benzoisothiazole 2,2-dioxide
Alternate Name(s) (1R)-2-(10,10-dimethyl-3,3-dioxido-3-thia-4-azatricyclo[5.2.1.0(1,5)]dec-4-yl)-2-oxo-1-phenylethanol (3aS,6R,7aR)-1,4,5,6,7,7a-Hexahydro-1-[(2'R)-2'-hydroxy-2'-phenylacetyl]-8,8-dimethyl-3H-3a,6-methano[2.1]benzoisothiazole 2,2-dioxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H23NO4S
InChI InChI=1S/C18H23NO4S/c1-17(2)13-8-9-18(17)11-24(22,23)19(14(18)10-13)16(21)15(20)12-6-4-3-5-7-12/h3-7,13-15,20H,8-11H2,1-2H3/t13-,14-,15+,18-/m0/s1
InChIKey BBTFDQWONAJVOB-AFIMGQEJSA-N
Molecular Weight 349.445 g/mol
SMILES O[C@@](C(N1S(C[C@]23C([C@@](CC3)(C[C@]12[H])[H])(C)C)(=O)=O)=O)(c1ccccc1)[H]
SPLASH splash10-0a4i-0900000000-54dbd611cfb0b2314cd0
Source of Spectrum QC-10-541-3
Wiley ID 871101