John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=BShD7Mzkdhf SpectraBase Spectrum ID=10vXfKlbUq2

(accessed ).
7-BETA-(4-NITROCINNAMOYL)-AMINO-3-ACETOXYMETHYL-CEPHALOSPORINE
SpectraBase Compound ID BShD7Mzkdhf
InChI InChI=1S/C19H17N3O8S/c1-10(23)30-8-12-9-31-18-15(17(25)21(18)16(12)19(26)27)20-14(24)7-4-11-2-5-13(6-3-11)22(28)29/h2-7,15,18H,8-9H2,1H3,(H,20,24)(H,26,27)/b7-4+/t15-,18?/m1/s1
InChIKey ZSFWVVQZOJAOPD-CUEBNTDQSA-N
Mol Weight 447.42 g/mol
Molecular Formula C19H17N3O8S
Exact Mass 447.073637 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 10vXfKlbUq2
Name 7-BETA-(4-NITROCINNAMOYL)-AMINO-3-ACETOXYMETHYL-CEPHALOSPORINE
Compound Number 1N
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H17N3O8S
InChI InChI=1S/C19H17N3O8S/c1-10(23)30-8-12-9-31-18-15(17(25)21(18)16(12)19(26)27)20-14(24)7-4-11-2-5-13(6-3-11)22(28)29/h2-7,15,18H,8-9H2,1H3,(H,20,24)(H,26,27)/b7-4+/t15-,18?/m1/s1
InChIKey ZSFWVVQZOJAOPD-CUEBNTDQSA-N
Literature Reference Author M.A.LOPEZ,Z.RODRIGUEZ,M.GONZALEZ,B.TOLON,R.AVILA,T.MAMPOSO,H .VELEZ,A.FINI
Literature Reference Citation MAGN.RES.CHEM.,43,261(2005)
Literature Reference DOI 10.1002/mrc.1525
Molecular Weight 447.419 g/mol
Solvent DMSO-D6
Source File Reference UWSI27026
SpectraBase Batch ID Ha5n0n2aqQE