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Ethyl (2RS, 3SR)-2-butanoyloxy-3-methylpentanoate
SpectraBase Compound ID HPXMJBx8SuX
InChI InChI=1S/C12H22O4/c1-5-8-10(13)16-11(9(4)6-2)12(14)15-7-3/h9,11H,5-8H2,1-4H3/t9-,11+/m0/s1
InChIKey VNJHYNFUVWZAFR-GXSJLCMTSA-N
Mol Weight 230.3 g/mol
Molecular Formula C12H22O4
Exact Mass 230.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L0YK7ftEuFq
Name Ethyl (2RS, 3SR)-2-butanoyloxy-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 230.151809184 u
Formula C12H22O4
InChI InChI=1S/C12H22O4/c1-5-8-10(13)16-11(9(4)6-2)12(14)15-7-3/h9,11H,5-8H2,1-4H3/t9-,11+/m0/s1
InChIKey VNJHYNFUVWZAFR-GXSJLCMTSA-N
Molecular Weight 230.304 g/mol
Number of Peaks 6
SMILES CC[C@](C)([C@@](OC(=O)CCC)(C(OCC)=O)[H])[H]
SPLASH splash10-00di-9100000000-dcbbb7f569ce2ac0031b
Source of Spectrum FF-20-379-30 (DOI: 10.1002/ffj.1510)
Synonyms (2R,3S)-ethyl 2-(butyryloxy)-3-methylpentanoate
Wiley ID 1775411