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(2S,6R,11S)-2-(3-(Benzyloxy)propyl)-11-methyl-1,7-dioxaspiro-[5.5]undecan-4-one
SpectraBase Compound ID QmYIDLK11M
InChI InChI=1S/C20H28O4/c1-16-7-5-12-23-20(16)14-18(21)13-19(24-20)10-6-11-22-15-17-8-3-2-4-9-17/h2-4,8-9,16,19H,5-7,10-15H2,1H3/t16-,19-,20+/m0/s1
InChIKey HCOBQFQKHKELNC-FFZOFVMBSA-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 C69Kz3GOFXP
Name (2S,6R,11S)-2-(3-(Benzyloxy)propyl)-11-methyl-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/c1-16-7-5-12-23-20(16)14-18(21)13-19(24-20)10-6-11-22-15-17-8-3-2-4-9-17/h2-4,8-9,16,19H,5-7,10-15H2,1H3/t16-,19-,20+/m0/s1
InChIKey HCOBQFQKHKELNC-FFZOFVMBSA-N
Literature Reference DOI 10.1002/adsc.200800154
Molecular Weight 332.440 g/mol
SMILES [C@]12(OCCC[C@@]2(C)[H])CC(=O)C[C@](CCCOCc2ccccc2)(O1)[H]
SPLASH splash10-0006-9200000000-6ddaa7e57ef68316d211
Source of Spectrum ASC-350-1736/SM115-115_1
Synonyms (2S,6R,11S)-2-(3-(benzyloxy)propyl)-11-methyl-1,7-dioxaspiro[5.5]undecan-4-one
Wiley ID 1767971