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(2S,3S,4R,6R)-3-hydroxy-2,4,6-trimethyloctanoic acid
SpectraBase Compound ID 8NKLUjUTKYm
InChI InChI=1S/C11H22O3/c1-5-7(2)6-8(3)10(12)9(4)11(13)14/h7-10,12H,5-6H2,1-4H3,(H,13,14)/t7-,8-,9+,10+/m1/s1
InChIKey PTBSRFJPVULOFP-IMSYWVGJSA-N
Mol Weight 202.29 g/mol
Molecular Formula C11H22O3
Exact Mass 202.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4qqYn4VqbjI
Name (2S,3S,4R,6R)-3-hydroxy-2,4,6-trimethyloctanoic acid
Alternate Name(s) (2S,3S,4R,6R)-3-hydroxy-2,4,6-trimethyl-octanoic acid (2S,3S,4R,6R)-2,4,6-trimethyl-3-oxidanyl-octanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H22O3
InChI InChI=1S/C11H22O3/c1-5-7(2)6-8(3)10(12)9(4)11(13)14/h7-10,12H,5-6H2,1-4H3,(H,13,14)/t7-,8-,9+,10+/m1/s1
InChIKey PTBSRFJPVULOFP-IMSYWVGJSA-N
Molecular Weight 202.294 g/mol
SMILES OC([C@]([C@]([C@@](C[C@@](CC)(C)[H])(C)[H])(O)[H])(C)[H])=O
SPLASH splash10-0udr-9700000000-3a83c0553d20a9dd623d
Source of Spectrum J-59-3358-2
Wiley ID 1199761