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PARA-NITROBENZYL-(7-ETHYL-7-METHOXY)-3-N-ACETYLETHANETHIO-1-CARBA-1-DETHIA-3-CEPHEM-CARBOXYLATE
SpectraBase Compound ID A3973KaGne1
InChI InChI=1S/C22H27N3O7S/c1-4-22(31-3)18-10-9-17(33-12-11-23-14(2)26)19(24(18)21(22)28)20(27)32-13-15-5-7-16(8-6-15)25(29)30/h5-8,18H,4,9-13H2,1-3H3,(H,23,26)/t18?,22-/m0/s1
InChIKey VNIMHUGMCATCNR-YSYXNDDBSA-N
Mol Weight 477.53 g/mol
Molecular Formula C22H27N3O7S
Exact Mass 477.156971 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IKcLJg5wIGA
Name PARA-NITROBENZYL-(7-ETHYL-7-METHOXY)-3-N-ACETYLETHANETHIO-1-CARBA-1-DETHIA-3-CEPHEM-CARBOXYLATE
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H27N3O7S
InChI InChI=1S/C22H27N3O7S/c1-4-22(31-3)18-10-9-17(33-12-11-23-14(2)26)19(24(18)21(22)28)20(27)32-13-15-5-7-16(8-6-15)25(29)30/h5-8,18H,4,9-13H2,1-3H3,(H,23,26)/t18?,22-/m0/s1
InChIKey VNIMHUGMCATCNR-YSYXNDDBSA-N
Literature Reference Author S.R.SHAKYA,T.DURST
Literature Reference Citation CAN.J.CHEM.,70,2142(1992)
Literature Reference DOI 10.1139/v92-269
Molecular Weight 477.532 g/mol
Solvent Unknown
Source File Reference UWVP515