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Pantothenate
SpectraBase Compound ID 4Pbq4jg2MfA
InChI InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/m0/s1
InChIKey GHOKWGTUZJEAQD-ZETCQYMHSA-N
Mol Weight 219.24 g/mol
Molecular Formula C9H17NO5
Exact Mass 219.110673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 76dpYDgG0i9
Name Pantothenic Acid
Alternate Name(s) (+)-Pantothenic acid (D)-(+)-Pantothenic acid (R)-pantothenate .beta.-alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, (R)- 3-[[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]amino]propanoic acid 3-[[(2R)-2,4-dihydroxy-3,3-dimethyl-butanoyl]amino]propanoic acid 3-[[(2R)-2,4-dihydroxy-3,3-dimethyl-butanoyl]amino]propionic acid 3-[[(2R)-3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]propanoic acid Chick antidermatitis factor D-pantothenic acid Kyselina pantothenova Pantothenate Pantothenic acid, D- Vitamin B5 BRN 1727064 EINECS 201-229-0 HSDB 1020
CAS Registry Number 79-83-4
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Formula C9H17NO5
InChI InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/m0/s1
InChIKey GHOKWGTUZJEAQD-ZETCQYMHSA-N
Molecular Weight 219.237 g/mol
SMILES OCC([C@](C(=O)NCCC(=O)O)(O)[H])(C)C
SPLASH splash10-00di-9200000000-616f4fd74f4460ff3c33
Source of Spectrum B4-0-0-0
Wiley ID 1218643