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3-Hydroxy-4-(4-carboxy-2-thiazolidinyl)-2-methyl-5-pyridylmethyl-phosphoric acid

View entire compound with spectra: 16 NMR

3-Hydroxy-4-(4-carboxy-2-thiazolidinyl)-2-methyl-5-pyridylmethyl-phosphoric acid
SpectraBase Compound ID A93dqePadiQ
InChI InChI=1S/C11H15N2O7PS/c1-5-9(14)8(10-13-7(4-22-10)11(15)16)6(2-12-5)3-20-21(17,18)19/h2,7,10,13-14H,3-4H2,1H3,(H,15,16)(H2,17,18,19)
InChIKey CXFXHBNEDOKOBZ-UHFFFAOYSA-N
Mol Weight 350.28 g/mol
Molecular Formula C11H15N2O7PS
Exact Mass 350.033759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KDcstRWpbj5
Name 3-Hydroxy-4-(4-carboxy-2-thiazolidinyl)-2-methyl-5-pyridylmethyl-phosphoric acid
CAS Registry Number 899-28-5
Comments PH = 7, DIASTEREOMER 2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H15N2O7PS
InChI InChI=1S/C11H15N2O7PS/c1-5-9(14)8(10-13-7(4-22-10)11(15)16)6(2-12-5)3-20-21(17,18)19/h2,7,10,13-14H,3-4H2,1H3,(H,15,16)(H2,17,18,19)
InChIKey CXFXHBNEDOKOBZ-UHFFFAOYSA-N
Instrument Name Varian FT-80
Literature Reference F. Ponticelli, E. Marinello, M.C. Missale, Org. Magn. Resonance 20, 138 (1982).
NMR Standard CH3OH
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O