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DIPHENYLMETHYL_N-CARBOETHOXY-S-AMINOSULFENIMINOPENICILLANATE
SpectraBase Compound ID 2Rspt5i6Cn3
InChI InChI=1S/C24H25N3O5S2/c1-4-31-23(30)26-34-25-17-20(28)27-19(24(2,3)33-21(17)27)22(29)32-18(15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14,18-19,21H,4H2,1-3H3,(H,26,30)/b25-17+/t19-,21+/m0/s1
InChIKey ZLSMDVGZKJURBH-BPZWNLCQSA-N
Mol Weight 499.6 g/mol
Molecular Formula C24H25N3O5S2
Exact Mass 499.123563 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FDFk8ZuMMVt
Name DIPHENYLMETHYL_N-CARBOETHOXY-S-AMINOSULFENIMINOPENICILLANATE
Compound Number (3-S,5-R)-4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H25N3O5S2
InChI InChI=1S/C24H25N3O5S2/c1-4-31-23(30)26-34-25-17-20(28)27-19(24(2,3)33-21(17)27)22(29)32-18(15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14,18-19,21H,4H2,1-3H3,(H,26,30)/b25-17+/t19-,21+/m0/s1
InChIKey ZLSMDVGZKJURBH-BPZWNLCQSA-N
Literature Reference Author T.P.SMYTH,M.E.ODONNELL,M.J.OCONNOR,J.O.S.LEDGER
Literature Reference Citation J.ORG.CHEM.,63,7600(1998)
Literature Reference DOI 10.1021/jo970737f
Molecular Weight 499.600 g/mol
Sample ID 26074
Solvent CDCl3