John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=7Xj8cChtMJ6 SpectraBase Spectrum ID=11S9KPBuFiE

(accessed ).
S-(-)-3-N-[2-HYDROXY-1-(HYDROXYMETHYL)-ETHYL]-5-[(2-HYDROXY-1-OXOPROPYL)-AMINO]-2,4,6-TRIIODOISOPHTHALAMIC-ACID
SpectraBase Compound ID 7Xj8cChtMJ6
InChI InChI=1S/C14H15I3N2O7/c1-4(22)12(23)19-11-9(16)6(13(24)18-5(2-20)3-21)8(15)7(10(11)17)14(25)26/h4-5,20-22H,2-3H2,1H3,(H,18,24)(H,19,23)(H,25,26)
InChIKey BWAZWHDKQIBKFB-UHFFFAOYSA-N
Mol Weight 703.99 g/mol
Molecular Formula C14H15I3N2O7
Exact Mass 703.801357 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 11S9KPBuFiE
Name S-(-)-3-N-[2-HYDROXY-1-(HYDROXYMETHYL)-ETHYL]-5-[(2-HYDROXY-1-OXOPROPYL)-AMINO]-2,4,6-TRIIODOISOPHTHALAMIC-ACID
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H15I3N2O7
InChI InChI=1S/C14H15I3N2O7/c1-4(22)12(23)19-11-9(16)6(13(24)18-5(2-20)3-21)8(15)7(10(11)17)14(25)26/h4-5,20-22H,2-3H2,1H3,(H,18,24)(H,19,23)(H,25,26)
InChIKey BWAZWHDKQIBKFB-UHFFFAOYSA-N
Literature Reference Author S.BRADAMANTE,G.VITTADINI
Literature Reference Citation MAGN.RES.CHEM.,25,283(1987)
Literature Reference DOI 10.1002/mrc.1260250402
Molecular Weight 703.996 g/mol
Solvent D2O
Source File Reference UNIW22254
SpectraBase Batch ID F5oDxycyqxm