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anti-(2S,3S)-3-Hydroxy-2-methylvaleric acid pentyl ester
SpectraBase Compound ID HhOyJ1jRNQz
InChI InChI=1S/C11H22O3/c1-4-6-7-8-14-11(13)9(3)10(12)5-2/h9-10,12H,4-8H2,1-3H3/t9-,10-/m0/s1
InChIKey CKVSWUYNCZPQFX-UWVGGRQHSA-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 FW3erpeMNkr
Name anti-(2S,3S)-3-Hydroxy-2-methylvaleric acid pentyl ester
Alternate Name(s) Pentyl (2S,3S)-3-hydroxy-2-methylpentanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H22O3
InChI InChI=1S/C11H22O3/c1-4-6-7-8-14-11(13)9(3)10(12)5-2/h9-10,12H,4-8H2,1-3H3/t9-,10-/m0/s1
InChIKey CKVSWUYNCZPQFX-UWVGGRQHSA-N
Literature Reference DOI 10.1002/cbic.201800799
Molecular Weight 202.294 g/mol
SMILES O[C@@](CC)([C@@](C(=O)OCCCCC)(C)[H])[H]
SPLASH splash10-00di-9800000000-0f39635a655b39d40aab
Source of Spectrum CBC-20-SM16-6b
Wiley ID 1819383