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Tert-butyl 2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfonyl}-phenylcarbamate
SpectraBase Compound ID INhUOTPdeew
InChI InChI=1S/C20H23NO6S/c1-20(2,3)27-19(23)21-16-7-5-6-8-18(16)28(24,25)13-17(22)14-9-11-15(26-4)12-10-14/h5-12H,13H2,1-4H3,(H,21,23)
InChIKey PPKNWFOFYMMVHU-UHFFFAOYSA-N
Mol Weight 405.47 g/mol
Molecular Formula C20H23NO6S
Exact Mass 405.124609 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4LofaN8vAXc
Name Tert-butyl 2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfonyl}-phenylcarbamate
Comments Computed using HOSE algorithm
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Exact Mass 405.124608633 u
Formula C20H23NO6S
InChI InChI=1S/C20H23NO6S/c1-20(2,3)27-19(23)21-16-7-5-6-8-18(16)28(24,25)13-17(22)14-9-11-15(26-4)12-10-14/h5-12H,13H2,1-4H3,(H,21,23)
InChIKey PPKNWFOFYMMVHU-UHFFFAOYSA-N
Molecular Weight 405.465 g/mol
SMILES C=1(S(CC(C2=CC=C(C=C2)OC)=O)(=O)=O)C(NC(OC(C)(C)C)=O)=CC=CC1