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4-Methyl-2-oxopentanoic acid, calcium salt dihydrate

View entire compound with spectra: 1 Raman

4-Methyl-2-oxopentanoic acid, calcium salt dihydrate
SpectraBase Compound ID BgVHlYML3gZ
InChI InChI=1S/2C6H10O3.Ca.2H2O/c2*1-4(2)3-5(7)6(8)9;;;/h2*4H,3H2,1-2H3,(H,8,9);;2*1H2/q;;+2;;/p-2
InChIKey ZDWTWIPSCCEWEZ-UHFFFAOYSA-L
Mol Weight 334.378 g/mol
Molecular Formula C12H22CaO8
Exact Mass 334.094059 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID LISlXIgPOGo
Name 4-Methyl-2-oxopentanoic acid, calcium salt dihydrate
Catalog Number 246441
CAS Registry Number 51828-95-6
Copyright Copyright © 2017-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2017-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22CaO8
Formula (reported) C12H22CaO8
InChI InChI=1S/2C6H10O3.Ca.2H2O/c2*1-4(2)3-5(7)6(8)9;;;/h2*4H,3H2,1-2H3,(H,8,9);;2*1H2/q;;+2;;/p-2
InChIKey ZDWTWIPSCCEWEZ-UHFFFAOYSA-L
Purity 99%
Wiley ID SIAL_RAMAN_006113