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(2R,4S,5S,6R)-6-Ethyl-2,4-dimethyl-7-oxononan-5-olide
SpectraBase Compound ID D9uT9dAdKH6
InChI InChI=1S/C13H22O3/c1-5-10(11(14)6-2)12-8(3)7-9(4)13(15)16-12/h8-10,12H,5-7H2,1-4H3/t8-,9+,10-,12-/m0/s1
InChIKey BCRJZWVWBUZWHD-WYFGTUCQSA-N
Mol Weight 226.32 g/mol
Molecular Formula C13H22O3
Exact Mass 226.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1FvUNvlvqPq
Name (2R,4S,5S,6R)-6-Ethyl-2,4-dimethyl-7-oxononan-5-olide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O3
InChI InChI=1S/C13H22O3/c1-5-10(11(14)6-2)12-8(3)7-9(4)13(15)16-12/h8-10,12H,5-7H2,1-4H3/t8-,9+,10-,12-/m0/s1
InChIKey BCRJZWVWBUZWHD-WYFGTUCQSA-N
Molecular Weight 226.316 g/mol
SMILES [C@]1(OC([C@@](C[C@@]1(C)[H])(C)[H])=O)([C@](C(=O)CC)(CC)[H])[H]
SPLASH splash10-0a4i-9000000000-1c008ddf031765e9c029
Source of Spectrum E1-37-1703-3
Synonyms (3R,5S,6S)-6-[(1R)-1-ethyl-2-oxobutyl]-3,5-dimethyltetrahydro-2H-pyran-2-one
Wiley ID 1517783