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(2R,6R,8S)-8-((Benzyloxy)methyl)-2-butyl-1,7-dioxaspiro[5.5]undecan-4-one
SpectraBase Compound ID BcGrM9Hr78Y
InChI InChI=1S/C21H30O4/c1-2-3-10-19-13-18(22)14-21(24-19)12-7-11-20(25-21)16-23-15-17-8-5-4-6-9-17/h4-6,8-9,19-20H,2-3,7,10-16H2,1H3/t19-,20+,21-/m1/s1
InChIKey FNFMLXHOTONQHL-QHAWAJNXSA-N
Mol Weight 346.47 g/mol
Molecular Formula C21H30O4
Exact Mass 346.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8jFUAhAHQKH
Name (2R,6R,8S)-8-((Benzyloxy)methyl)-2-butyl-1,7-dioxaspiro[5.5]undecan-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O4
InChI InChI=1S/C21H30O4/c1-2-3-10-19-13-18(22)14-21(24-19)12-7-11-20(25-21)16-23-15-17-8-5-4-6-9-17/h4-6,8-9,19-20H,2-3,7,10-16H2,1H3/t19-,20+,21-/m1/s1
InChIKey FNFMLXHOTONQHL-QHAWAJNXSA-N
Literature Reference DOI 10.1002/adsc.200800154
Molecular Weight 346.467 g/mol
SMILES [C@@]12(O[C@](COCc3ccccc3)(CCC1)[H])CC(=O)C[C@@](CCCC)(O2)[H]
SPLASH splash10-0006-9440000000-0dece450fc587db14513
Source of Spectrum ASC-350-1736/SM61-60_3
Wiley ID 1768099