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HOMARINE
SpectraBase Compound ID 44vWAjXNfOn
InChI InChI=1S/C7H7NO2/c1-8-5-3-2-4-6(8)7(9)10/h2-5H,1H3
InChIKey BRTLKRNVNFIOPJ-UHFFFAOYSA-N
Mol Weight 137.14 g/mol
Molecular Formula C7H7NO2
Exact Mass 137.047678 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID pxpVRwec4
Name 2-CARBOXY-1-METHYLPYRIDINIUM HYDROXIDE, INNER SALT
Source of Sample J. M. Liesch, D. S. Millington, R. C. Pandey J. Amer. Chem. Soc. 98, 8237(1976)
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H7NO2
InChI InChI=1S/C7H7NO2/c1-8-5-3-2-4-6(8)7(9)10/h2-5H,1H3
InChIKey BRTLKRNVNFIOPJ-UHFFFAOYSA-N
Molecular Weight 137.14
Solvent Deuterium oxide; Reference=Dioxane; Temperature=Ambient Spectrometer= Varian XL-100
Synonyms PYRIDINIUM HYDROXIDE, 2-CARBOXY- 1-METHYL-, INNER SALT