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N-Carbobenzyloxy-4-cis-p-benzenesulfonyloxy-L-proline, methyl ester
SpectraBase Compound ID GvHqdubUX63
InChI InChI=1S/C21H23NO7S/c1-15-8-10-18(11-9-15)30(25,26)29-17-12-19(20(23)27-2)22(13-17)21(24)28-14-16-6-4-3-5-7-16/h3-11,17,19H,12-14H2,1-2H3
InChIKey CRGZVZQOSILHGM-UHFFFAOYSA-N
Mol Weight 433.48 g/mol
Molecular Formula C21H23NO7S
Exact Mass 433.119523 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4iLFltcl69z
Name N-Carbobenzyloxy-4-cis-p-benzenesulfonyloxy-L-proline, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 433.119523252 u
Formula C21H23NO7S
InChI InChI=1S/C21H23NO7S/c1-15-8-10-18(11-9-15)30(25,26)29-17-12-19(20(23)27-2)22(13-17)21(24)28-14-16-6-4-3-5-7-16/h3-11,17,19H,12-14H2,1-2H3
InChIKey CRGZVZQOSILHGM-UHFFFAOYSA-N
Molecular Weight 433.475 g/mol
SMILES C1=CC(=CC=C1C)S(=O)(OC1CN(C(OCC=2C=CC=CC2)=O)C(C1)C(OC)=O)=O