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3-CARBOXY-1-METHYL-1-(2-PROPYNYL)-1,2,5,6-TETRAHYDROPYRIDINIUM BROMIDE, METHYL ESTER

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3-CARBOXY-1-METHYL-1-(2-PROPYNYL)-1,2,5,6-TETRAHYDROPYRIDINIUM BROMIDE, METHYL ESTER
SpectraBase Compound ID EzXZKCn3WrE
InChI InChI=1S/C11H16NO2.BrH/c1-4-7-12(2)8-5-6-10(9-12)11(13)14-3;/h1,6H,5,7-9H2,2-3H3;1H/q+1;/p-1
InChIKey VFGRGOKKKGBYDL-UHFFFAOYSA-M
Mol Weight 274.16 g/mol
Molecular Formula C11H16BrNO2
Exact Mass 273.036442 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8bXqT4Cmv6H
Name 3-CARBOXY-1-METHYL-1-(2-PROPYNYL)-1,2,5,6-TETRAHYDROPYRIDINIUM BROMIDE, METHYL ESTER
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16BrNO2
InChI InChI=1S/C11H16NO2.BrH/c1-4-7-12(2)8-5-6-10(9-12)11(13)14-3;/h1,6H,5,7-9H2,2-3H3;1H/q+1;/p-1
InChIKey VFGRGOKKKGBYDL-UHFFFAOYSA-M
Molecular Weight 274.16
Solvent Deuterium oxide; Reference=Dioxane Spectrometer= Varian CFT-20
Synonyms PYRIDINIUM BROMIDE, 3-CARBOXY- 1-METHYL-1-/2-PROPYNYL/-1,2,5,6-TETRAHYDRO-, METHYL ESTER