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(2S,6S)-2-Butyl-1,7-dioxaspiro[5.5]undecan-4-one
SpectraBase Compound ID 9HsVQDZLxn8
InChI InChI=1S/C13H22O3/c1-2-3-6-12-9-11(14)10-13(16-12)7-4-5-8-15-13/h12H,2-10H2,1H3/t12-,13-/m0/s1
InChIKey OTDWLKNGRVMMIT-STQMWFEESA-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 3Y48Evd6vT1
Name (2S,6S)-2-Butyl-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/c1-2-3-6-12-9-11(14)10-13(16-12)7-4-5-8-15-13/h12H,2-10H2,1H3/t12-,13-/m0/s1
InChIKey OTDWLKNGRVMMIT-STQMWFEESA-N
Literature Reference DOI 10.1002/adsc.200800154
Molecular Weight 226.316 g/mol
SMILES [C@]12(CC(C[C@@](O2)(CCCC)[H])=O)OCCCC1
SPLASH splash10-054k-9810000000-b1bed3aaa6fb909bb597
Source of Spectrum ASC-350-1736/SM98-98_2
Wiley ID 1768196