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glucoheptonic acid, sodium salt

View entire compound with spectra: 2 NMR, and 1 FTIR

glucoheptonic acid, sodium salt
SpectraBase Compound ID H4xrtWiwisK
InChI InChI=1S/C7H14O8.Na/c8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;/h2-6,8-13H,1H2,(H,14,15);/q;+1/p-1/t2-,3-,4+,5-,6-;/m1./s1
InChIKey FMYOMWCQJXWGEN-WYRLRVFGSA-M
Mol Weight 248.16276928 g/mol
Molecular Formula C7H13NaO8
Exact Mass 248.050812 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hly3UDlw3GC
Name D-glycero-D-gulo-HEPTONIC ACID, MONOSODIUM SALT
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H13NaO8
InChI InChI=1S/C7H14O8.Na/c8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;/h2-6,8-13H,1H2,(H,14,15);/q;+1/p-1/t2-,3-,4+,5-,6-;/m1./s1
InChIKey FMYOMWCQJXWGEN-WYRLRVFGSA-M
Molecular Weight 248.17
Solvent Deuterium oxide; Reference=Dioxane Spectrometer= Varian CFT-20
Synonyms HEPTONIC ACID, D-GLYCERO-D-GULO-, SODIUM SALT HEPTANOIC ACID, 2,3,4,5,6,7-HEXAHYDROXY-, SODIUM SALT GLUCOHEPTONIC ACID, SODIUM SALT