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(2S,6R,11S)-11-Methyl-2-(1-(methyl)ethyl)-1,7-dioxaspiro[5.5]undecan-4-one
SpectraBase Compound ID 6h9Tjdeo6Hf
InChI InChI=1S/C13H22O3/c1-9(2)12-7-11(14)8-13(16-12)10(3)5-4-6-15-13/h9-10,12H,4-8H2,1-3H3/t10-,12-,13+/m0/s1
InChIKey SZEQJZWAHRJQOH-WCFLWFBJSA-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 DSD7akKbCAM
Name (2S,6R,11S)-11-Methyl-2-(1-(methyl)ethyl)-1,7-dioxaspiro[5.5]undecan-4-one
Alternate Name(s) (2S,6R,11S)-2-isopropyl-11-methyl-1,7-dioxaspiro[5.5]undecan-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O3
InChI InChI=1S/C13H22O3/c1-9(2)12-7-11(14)8-13(16-12)10(3)5-4-6-15-13/h9-10,12H,4-8H2,1-3H3/t10-,12-,13+/m0/s1
InChIKey SZEQJZWAHRJQOH-WCFLWFBJSA-N
Literature Reference DOI 10.1002/adsc.200800154
Molecular Weight 226.316 g/mol
SMILES [C@@]12([C@](CCCO2)(C)[H])CC(C[C@](O1)(C(C)C)[H])=O
SPLASH splash10-07bk-9710000000-67a417e444a22cc93d1e
Source of Spectrum ASC-350-1736/SM72-72_3
Wiley ID 1768130