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3-ACETYL-4-HYDROXY-6-METHYL-2H-PYRAN-2-ONE, SODIUM SALT
SpectraBase Compound ID 4E2DR70mTjj
InChI InChI=1S/C8H8O4.Na/c1-4-3-6(10)7(5(2)9)8(11)12-4;/h3,10H,1-2H3;/q;+1/p-1
InChIKey ZPNRBQVNNIDJHX-UHFFFAOYSA-M
Mol Weight 190.13 g/mol
Molecular Formula C8H7NaO4
Exact Mass 190.024203 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BXZNCmUyBhY
Name 3-ACETYL-4-HYDROXY-6-METHYL-2H-PYRAN-2-ONE, SODIUM SALT
Source of Sample Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7NaO4
InChI InChI=1S/C8H8O4.Na/c1-4-3-6(10)7(5(2)9)8(11)12-4;/h3,10H,1-2H3;/q;+1/p-1
InChIKey ZPNRBQVNNIDJHX-UHFFFAOYSA-M
Melting Point 109C
Molecular Weight 190.13
Solvent Deuterium oxide; Reference=Dioxane Spectrometer= Varian CFT-20
Synonyms SODIUM, //2-CARBOXY-1-/2-HYDROXYPROPENYL/-3-OXO-1-BUTENYL/OXY/-, D- LACTONE 4-HEXENOIC ACID, 2-ACETYL-5-HYDROXY- 3-OXO-, D-LACTONE, SODIUM DERIVATIVE