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Tetracycline cation

View entire compound with spectra: 9 NMR

Tetracycline cation
SpectraBase Compound ID GENtick75nX
InChI InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30)/p+1
InChIKey OFVLGDICTFRJMM-UHFFFAOYSA-O
Mol Weight 445.45 g/mol
Molecular Formula C22H25N2O8
Exact Mass 445.161091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ANLdxukiT70
Name Tetracycline cation
CAS Registry Number 64-75-5
Comments SIGNALS BETWEEN 37 AND 42 PPM ARE OBSCURED BY THE DMSO SOLVENT, THUS PPM VALUES GIVEN ARE ONLY ESTIMATES HYDROCHLORID
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C22H25N2O8
InChI InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30)/p+1
InChIKey OFVLGDICTFRJMM-UHFFFAOYSA-O
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