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1-AMINO-1,3-CYCLOBUTANEDICARBOXYLIC ACID, MONOSODIUM SALT
SpectraBase Compound ID 8rnEE0JcTMi
InChI InChI=1S/C6H9NO4.Na/c7-6(5(10)11)1-3(2-6)4(8)9;/h3H,1-2,7H2,(H,8,9)(H,10,11);/q;+1/p-1
InChIKey XUZCIPMIJOWUJE-UHFFFAOYSA-M
Mol Weight 181.12 g/mol
Molecular Formula C6H8NNaO4
Exact Mass 181.035102 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ArucEvaE6cS
Name 1-AMINO-1,3-CYCLOBUTANEDICARBOXYLIC ACID, MONOSODIUM SALT
Source of Sample E. A. Bell, M. Y. Qureshi, R. J. Pryce J. Amer. Chem. Soc. 102, 1049(1980)
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H8NNaO4
InChI InChI=1S/C6H9NO4.Na/c7-6(5(10)11)1-3(2-6)4(8)9;/h3H,1-2,7H2,(H,8,9)(H,10,11);/q;+1/p-1
InChIKey XUZCIPMIJOWUJE-UHFFFAOYSA-M
Molecular Weight 181.12
Solvent Deuterium oxide; Reference=Dioxane; Temperature=Ambient Spectrometer= Not Reported
Synonyms 1,3-CYCLOBUTANEDICARBOXYLIC ACID, 1-AMINO-, MONOSODIUM SALT