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1,7-Dioxaspiro[5.5]undecan-5-one, 3-methyl-2-(1-methylethyl)-, (2.alpha.,3.beta.,6.beta.)-(.+-.)-
SpectraBase Compound ID EDfcBRMytuF
InChI InChI=1S/C13H22O3/c1-9(2)12-10(3)8-11(14)13(16-12)6-4-5-7-15-13/h9-10,12H,4-8H2,1-3H3/t10-,12+,13-/m0/s1
InChIKey KHJNLQGSGRUUQT-UHTWSYAYSA-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 Ky61ntgGgk0
Name 1,7-Dioxaspiro[5.5]undecan-5-one, 3-methyl-2-(1-methylethyl)-, (2.alpha.,3.beta.,6.beta.)-(.+-.)-
CAS Registry Number 112897-26-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O3
InChI InChI=1S/C13H22O3/c1-9(2)12-10(3)8-11(14)13(16-12)6-4-5-7-15-13/h9-10,12H,4-8H2,1-3H3/t10-,12+,13-/m0/s1
InChIKey KHJNLQGSGRUUQT-UHTWSYAYSA-N
Molecular Weight 226.316 g/mol
SMILES [C@@]12(O[C@@]([C@](CC2=O)(C)[H])(C(C)C)[H])OCCCC1
SPLASH splash10-0udi-3900000000-bb7b27b36e657de51f52
Source of Spectrum C-110-1907-25
Synonyms (2.alpha.,3.beta.,6.beta.)-3-methyl-2-(1-methylethyl)-1,7-dioxaspiro[5.5]undecan-5-one (2R,3S,6S)-2-isopropyl-3-methyl-1,7-dioxaspiro[5.5]undecan-5-one
Wiley ID 1227576