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CEPHALORIDIN,SODIUM_SALT;STANDARD:DSS

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CEPHALORIDIN,SODIUM_SALT;STANDARD:DSS
SpectraBase Compound ID B5i4r2sVOZe
InChI InChI=1S/C19H18N3O4S2.Na/c23-14(9-13-5-4-8-27-13)20-15-17(24)22-16(19(25)26)12(11-28-18(15)22)10-21-6-2-1-3-7-21;/h1-8,15,18H,9-11H2,(H,20,23)(H,25,26);/q;+1/p-1
InChIKey BMJBBJIPCVUKHB-UHFFFAOYSA-M
Mol Weight 438.47 g/mol
Molecular Formula C19H17N3NaO4S2
Exact Mass 438.055818 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7ol1N9ELj4K
Name CEPHALORIDIN,SODIUM_SALT;STANDARD:DSS
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H17N3NaO4S2
InChI InChI=1S/C19H18N3O4S2.Na/c23-14(9-13-5-4-8-27-13)20-15-17(24)22-16(19(25)26)12(11-28-18(15)22)10-21-6-2-1-3-7-21;/h1-8,15,18H,9-11H2,(H,20,23)(H,25,26);/q;+1/p-1
InChIKey BMJBBJIPCVUKHB-UHFFFAOYSA-M
Literature Reference Author A.SCHANCK,B.COENE,M.VANMEERSCHE,J.-M.DEREPPE
Literature Reference Citation ORG.MAGN.RES.,12,337(1979)
Literature Reference DOI 10.1002/mrc.1270120518
Molecular Weight 438.471 g/mol
Solvent D2O
Source File Reference UNIW3584