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2-AMINO-3-CARBOXY-4-HYDROXY-6-METHYLPYRYLIUM CHLORIDE, METHYL ESTER
SpectraBase Compound ID 6OLSrarIQpA
InChI InChI=1S/C8H9NO4.ClH/c1-4-3-5(10)6(7(9)13-4)8(11)12-2;/h3H,1-2H3,(H2-,9,10,11);1H
InChIKey BZDYFXOJVPXZGJ-UHFFFAOYSA-N
Mol Weight 219.62 g/mol
Molecular Formula C8H10ClNO4
Exact Mass 219.029836 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ciya7QeBy6i
Name 2-AMINO-3-CARBOXY-4-HYDROXY-6-METHYLPYRYLIUM CHLORIDE, METHYL ESTER
Source of Sample F. Cavagna, H. Pietsch Org. Magn. Resonance 11, 204(1978)
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H10ClNO4
InChI InChI=1S/C8H9NO4.ClH/c1-4-3-5(10)6(7(9)13-4)8(11)12-2;/h3H,1-2H3,(H2-,9,10,11);1H
InChIKey BZDYFXOJVPXZGJ-UHFFFAOYSA-N
Molecular Weight 219.63
Solvent Dimethyl sulfoxide-d6; Reference=TMS; Temperature=Ambient Spectrometer= Varian XL-100
Synonyms PYRYLIUM CHLORIDE, 2-AMINO- 3-CARBOXY-4-HYDROXY-6-METHYL-, METHYL ESTER