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(2R,6S,9R)-9-Benzyloxy-2-butyl-1,7-dioxaspiro[5.5]undecan-4-one
SpectraBase Compound ID FAfHBUQ6Z0u
InChI InChI=1S/C20H28O4/c1-2-3-9-18-12-17(21)13-20(24-18)11-10-19(15-23-20)22-14-16-7-5-4-6-8-16/h4-8,18-19H,2-3,9-15H2,1H3/t18-,19-,20+/m1/s1
InChIKey CMMASZDWLVLSHA-AQNXPRMDSA-N
Mol Weight 332.44 g/mol
Molecular Formula C20H28O4
Exact Mass 332.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C53CjiaOclW
Name (2R,6S,9R)-9-Benzyloxy-2-butyl-1,7-dioxaspiro[5.5]undecan-4-one
Alternate Name(s) (2R,6S,9R)-9-(benzyloxy)-2-butyl-1,7-dioxaspiro[5.5]undecan-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O4
InChI InChI=1S/C20H28O4/c1-2-3-9-18-12-17(21)13-20(24-18)11-10-19(15-23-20)22-14-16-7-5-4-6-8-16/h4-8,18-19H,2-3,9-15H2,1H3/t18-,19-,20+/m1/s1
InChIKey CMMASZDWLVLSHA-AQNXPRMDSA-N
Literature Reference DOI 10.1002/adsc.200800154
Molecular Weight 332.440 g/mol
SMILES [C@]12(OC[C@@](CC2)(OCc2ccccc2)[H])CC(=O)C[C@@](CCCC)(O1)[H]
SPLASH splash10-0006-9500000000-ede350632f80b8cca11c
Source of Spectrum ASC-350-1736/SM84-84_2
Wiley ID 1768161