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2-Cyano-tetracycline

View entire compound with spectra: 1 NMR

2-Cyano-tetracycline
SpectraBase Compound ID LkH9zUmjVym
InChI InChI=1S/C22H22N2O7/c1-21(30)10-5-4-6-13(25)14(10)18(27)15-11(21)7-12-16(24(2)3)17(26)9(8-23)19(28)22(12,31)20(15)29/h4-6,11-12,16,25-26,29-31H,7H2,1-3H3
InChIKey HISOCSRUFLPKDE-UHFFFAOYSA-N
Mol Weight 426.43 g/mol
Molecular Formula C22H22N2O7
Exact Mass 426.142701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lu2ePd2f7rG
Name 2-Cyano-tetracycline
CAS Registry Number 4199-33-1
Comments SIGNALS BETWEEN 37 AND 42 PPM ARE OBSCURED BY THE DMSO SOLVENT, THUS PPM VALUES GIVEN ARE ONLY ESTIMATES
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C22H22N2O7
InChI InChI=1S/C22H22N2O7/c1-21(30)10-5-4-6-13(25)14(10)18(27)15-11(21)7-12-16(24(2)3)17(26)9(8-23)19(28)22(12,31)20(15)29/h4-6,11-12,16,25-26,29-31H,7H2,1-3H3
InChIKey HISOCSRUFLPKDE-UHFFFAOYSA-N
Instrument Name Bruker HX-90
Literature Reference G.L. Aleson, C.W. Frank, J. Am. Chem. Soc. 97, 6246 (1975).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6