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(4S,5Z,9S)-4-Methyl-5-decen-9-olide
SpectraBase Compound ID 7FSXbPZGEr6
InChI InChI=1S/C11H18O2/c1-9-5-3-4-6-10(2)13-11(12)8-7-9/h3,5,9-10H,4,6-8H2,1-2H3/b5-3-/t9-,10+/m1/s1
InChIKey WKLMVXPGJCWGDP-OSCQXZJKSA-N
Mol Weight 182.26 g/mol
Molecular Formula C11H18O2
Exact Mass 182.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KZfQGTqcxii
Name (4S,5Z,9S)-4-Methyl-5-decen-9-olide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O2
InChI InChI=1S/C11H18O2/c1-9-5-3-4-6-10(2)13-11(12)8-7-9/h3,5,9-10H,4,6-8H2,1-2H3/b5-3-/t9-,10+/m1/s1
InChIKey WKLMVXPGJCWGDP-OSCQXZJKSA-N
Instrument Name HP 6890 GC-5973 MSD/Agilent Technologies GC 7890A-5975C MSD
Ionization Type EI
Literature Reference DOI 10.1021/np400131q
Molecular Weight 182.263 g/mol
SMILES [C@]1(CCC(O[C@](CC\C=C/1)(C)[H])=O)(C)[H]
SPLASH splash10-00kr-9100000000-c2cd5b107dcbb39b4013
Source of Spectrum G4-76-1556-31
Thin-Layer Chromatography Rf = 0.55 (pentane/tert-butyl methyl ether, 19:1)
Wiley ID 1865715