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D-Pantothenic acid, hemicalcium salt

View entire compound with spectra: 4 NMR, and 3 FTIR

D-Pantothenic acid, hemicalcium salt
SpectraBase Compound ID ZEk9KlacXw
InChI InChI=1S/2C9H17NO5.Ca/c2*1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;/h2*7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);/q;;+2/p-2/t2*7-;/m00./s1
InChIKey FAPWYRCQGJNNSJ-UBKPKTQASA-L
Mol Weight 476.5 g/mol
Molecular Formula C18H32CaN2O10
Exact Mass 476.168286 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 7UHfE8F2TeI
Name D-Pantothenic acid, calcium salt
Source of Sample Supelco, Sigma-Aldrich Inc.
Catalog Number 47867
Lot Number LB59513
Accessory DurasamplIR II
CAS Registry Number 137-08-6
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Formula C18H32CaN2O10
InChI InChI=1S/2C9H17NO5.Ca/c2*1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;/h2*7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);/q;;+2/p-2/t2*7-;/m00./s1
InChIKey FAPWYRCQGJNNSJ-UBKPKTQASA-L
Instrument Name Bio-Rad FTS
Source of Spectrum Forensic Spectral Research
Synonyms calcium 3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoate
Technique ATR-Neat (DuraSamplIR II) ground