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(rel-3S,5R,7R)-3,5,7-trimethyl-2,8-decanedione
SpectraBase Compound ID KXlWTVdXSFF
InChI InChI=1S/C13H24O2/c1-6-13(15)11(4)8-9(2)7-10(3)12(5)14/h9-11H,6-8H2,1-5H3/t9-,10+,11-/m1/s1
InChIKey YNCRJAWDJMZQAD-OUAUKWLOSA-N
Mol Weight 212.33 g/mol
Molecular Formula C13H24O2
Exact Mass 212.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3RFPg5pi4A
Name (rel-3S,5R,7R)-3,5,7-trimethyl-2,8-decanedione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H24O2
InChI InChI=1S/C13H24O2/c1-6-13(15)11(4)8-9(2)7-10(3)12(5)14/h9-11H,6-8H2,1-5H3/t9-,10+,11-/m1/s1
InChIKey YNCRJAWDJMZQAD-OUAUKWLOSA-N
Instrument Name Shimadzu QP-2010 GC-MS
Ionization Type EI
Literature Reference DOI 10.1021/acs.jnatprod.7b00806
Molecular Weight 212.333 g/mol
Reported Formula C13H24O2
SMILES C([C@@](C)(C[C@](C[C@](C(CC)=O)(C)[H])(C)[H])[H])(=O)C
SPLASH splash10-0a4u-9100000000-995b1d1b722162a4b5d8
Source of Spectrum G4-81-172-7, 7b
Wiley ID 1867645