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4-METHYL-2-OXOVALERIC ACID, CALCIUM SALT

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4-METHYL-2-OXOVALERIC ACID, CALCIUM SALT
SpectraBase Compound ID Glu3j3e323X
InChI InChI=1S/2C6H10O3.Ca/c2*1-4(2)3-5(7)6(8)9;/h2*4H,3H2,1-2H3,(H,8,9);/q;;+2/p-2
InChIKey WQZNGJIBHXYVNW-UHFFFAOYSA-L
Mol Weight 298.3 g/mol
Molecular Formula C12H18CaO6
Exact Mass 298.072929 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GqVPsvluVhY
Name 4-METHYL-2-OXOVALERIC ACID, CALCIUM SALT
Source of Sample Fluka AG, Buchs, Switzerland
CAS Registry Number 51828-95-6
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18CaO6
InChI InChI=1S/2C6H10O3.Ca/c2*1-4(2)3-5(7)6(8)9;/h2*4H,3H2,1-2H3,(H,8,9);/q;;+2/p-2
InChIKey WQZNGJIBHXYVNW-UHFFFAOYSA-L
Molecular Weight 298.35
Solvent Dimethyl sulfoxide-d6; Reference=TMS Spectrometer= Bruker AC-300
Synonyms VALERIC ACID, 4-METHYL-2-OXO-, CALCIUM SALT