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Methyl (2RS, 3RS)-2-acetoxy-3-methylpentanoate
SpectraBase Compound ID HaAQ6B3u2w0
InChI InChI=1S/C9H16O4/c1-5-6(2)8(9(11)12-4)13-7(3)10/h6,8H,5H2,1-4H3/t6-,8-/m1/s1
InChIKey HXUOJWLTELMQFB-HTRCEHHLSA-N
Mol Weight 188.22 g/mol
Molecular Formula C9H16O4
Exact Mass 188.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K00inJ9o9uL
Name Methyl (2RS, 3RS)-2-acetoxy-3-methylpentanoate
Classification Fatty acid esters
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 188.104858991 u
Formula C9H16O4
InChI InChI=1S/C9H16O4/c1-5-6(2)8(9(11)12-4)13-7(3)10/h6,8H,5H2,1-4H3/t6-,8-/m1/s1
InChIKey HXUOJWLTELMQFB-HTRCEHHLSA-N
Molecular Weight 188.223 g/mol
Number of Peaks 8
SMILES CC[C@@](C)([C@](C(OC)=O)(OC(=O)C)[H])[H]
SPLASH splash10-0006-9000000000-759269be9dfb31fa5097
Source of Spectrum FF-20-377-17 (DOI: 10.1002/ffj.1510)
Synonyms (2R,3R)-methyl 2-acetoxy-3-methylpentanoate
Wiley ID 1775398