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(2S,6S,9S)-9-Benzyloxy-2-cyclohexyl-1,7-dioxaspiro[5.5]undecan-4-one
SpectraBase Compound ID 9ylV15GWrz2
InChI InChI=1S/C22H30O4/c23-19-13-21(18-9-5-2-6-10-18)26-22(14-19)12-11-20(16-25-22)24-15-17-7-3-1-4-8-17/h1,3-4,7-8,18,20-21H,2,5-6,9-16H2/t20-,21-,22-/m0/s1
InChIKey LNMVTKQCMLGBJU-FKBYEOEOSA-N
Mol Weight 358.48 g/mol
Molecular Formula C22H30O4
Exact Mass 358.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9xYu3hIQbVb
Name (2S,6S,9S)-9-Benzyloxy-2-cyclohexyl-1,7-dioxaspiro[5.5]undecan-4-one
Alternate Name(s) (2S,6S,9S)-9-(benzyloxy)-2-cyclohexyl-1,7-dioxaspiro[5.5]undecan-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30O4
InChI InChI=1S/C22H30O4/c23-19-13-21(18-9-5-2-6-10-18)26-22(14-19)12-11-20(16-25-22)24-15-17-7-3-1-4-8-17/h1,3-4,7-8,18,20-21H,2,5-6,9-16H2/t20-,21-,22-/m0/s1
InChIKey LNMVTKQCMLGBJU-FKBYEOEOSA-N
Literature Reference DOI 10.1002/adsc.200800154
Molecular Weight 358.478 g/mol
SMILES [C@@]12(OC[C@@](OCc3ccccc3)(CC1)[H])CC(C[C@@](C1CCCCC1)(O2)[H])=O
SPLASH splash10-0006-9710000000-69bde4765e05db703489
Source of Spectrum ASC-350-1736/SM80-80_2
Wiley ID 1768152