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1-[(2'S)-2'-Hydroxy-2'-phenylacetyl]-1,4,5,6,7,7a-hexahydro-8,8-dimethyl-3H-3a,6-methano[2.1]benzoisothiazole 2,2-dioxide

View entire compound with spectra: 1 NMR

1-[(2'S)-2'-Hydroxy-2'-phenylacetyl]-1,4,5,6,7,7a-hexahydro-8,8-dimethyl-3H-3a,6-methano[2.1]benzoisothiazole 2,2-dioxide
SpectraBase Compound ID C7RNhORrGd
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-XSWJXKHESA-N
Mol Weight 349.45 g/mol
Molecular Formula C18H23NO4S
Exact Mass 349.134779 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8gEaYQL8leD
Name 1-[(2'S)-2'-Hydroxy-2'-phenylacetyl]-1,4,5,6,7,7A-hexahydro-8,8-dimethyl-3H-3A,6-methano[2.1]benzoisothiazole 2,2-dioxide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 349.134779395 u
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-XSWJXKHESA-N
Molecular Weight 349.445 g/mol
SMILES C(N1S(C[C@@]23C([C@](C[C@]13[H])(CC2)[H])(C)C)(=O)=O)([C@](C1=CC=CC=C1)(O)[H])=O