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Pentanoic acid, 3-hydroxy-3-methyl-, (S)-
SpectraBase Compound ID 3uQ1uMggRFD
InChI InChI=1S/C6H12O3/c1-3-6(2,9)4-5(7)8/h9H,3-4H2,1-2H3,(H,7,8)/t6-/m0/s1
InChIKey KEGHVPSZIWXTPY-LURJTMIESA-N
Mol Weight 132.16 g/mol
Molecular Formula C6H12O3
Exact Mass 132.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EWQoPDboQUO
Name Pentanoic acid, 3-hydroxy-3-methyl-, (S)-
Alternate Name(s) (3S)-3-hydroxy-3-methylpentanoic acid (3S)-3-methyl-3-hydroxypentanoic acid
CAS Registry Number 114926-67-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H12O3
InChI InChI=1S/C6H12O3/c1-3-6(2,9)4-5(7)8/h9H,3-4H2,1-2H3,(H,7,8)/t6-/m0/s1
InChIKey KEGHVPSZIWXTPY-LURJTMIESA-N
Molecular Weight 132.159 g/mol
SMILES OC(C[C@@](O)(CC)C)=O
SPLASH splash10-0006-9100000000-13f4846cc8349dee3220
Source of Spectrum C-110-4772-8
Wiley ID 1133799