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Ethyl (S)-4-Methylhexanoate
SpectraBase Compound ID Esm3HExOfz7
InChI InChI=1S/C9H18O2/c1-4-8(3)6-7-9(10)11-5-2/h8H,4-7H2,1-3H3/t8-/m0/s1
InChIKey XLBBXJVJKKWJTQ-QMMMGPOBSA-N
Mol Weight 158.24 g/mol
Molecular Formula C9H18O2
Exact Mass 158.13068 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4xhHHcxutiD
Name ETHYL-(S)-4-METHYLHEXANOATE
Compound Number S-8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H18O2
InChI InChI=1S/C9H18O2/c1-4-8(3)6-7-9(10)11-5-2/h8H,4-7H2,1-3H3/t8-/m0/s1
InChIKey XLBBXJVJKKWJTQ-QMMMGPOBSA-N
Literature Reference Author K.STRITZKE,S.SCHULZ,H.LAATSCH,E.HELMKE,W.BEIL
Literature Reference Citation J.NAT.PROD.,67,395(2004)
Literature Reference DOI 10.1021/np030321z
Molecular Weight 158.241 g/mol
Solvent CDCl3
Source File Reference UWKP4220