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1,4-Dioxaspiro[4.5]decane-6-propanenitrile, 7-[[2-(4-methoxybutyl)-1ilaan-2-yl]methyl]-9-methyl-, (6.alpha.,7.alpha.,9.beta.)-(.+-.)-
SpectraBase Compound ID pnwfe4UeWo
InChI InChI=1S/C21H35NO5/c1-17-14-18(16-20(24-10-11-25-20)7-3-4-9-23-2)19(6-5-8-22)21(15-17)26-12-13-27-21/h17-19H,3-7,9-16H2,1-2H3
InChIKey LFYBJUAWRKVVHE-UHFFFAOYSA-N
Mol Weight 381.5 g/mol
Molecular Formula C21H35NO5
Exact Mass 381.251523 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 237hVSYj52j
Name 1,4-Dioxaspiro[4.5]decane-6-propanenitrile, 7-[[2-(4-methoxybutyl)-1ilaan-2-yl]methyl]-9-methyl-, (6.alpha.,7.alpha.,9.beta.)-(.+-.)-
Alternate Name(s) (6RS,7SR,9RS)-and(6SR,7SR,9RS)-7(2-(4-methoxybutyl)-1,3-dioxolan-2-yl)methyl)-9-methyl-1,4-dioxaspiro(4,5)decan-6-propanenitrile 3-(7-{[2-(4-methoxybutyl)-1,3-dioxolan-2-yl]methyl}-9-methyl-1,4-dioxaspiro[4.5]dec-6-yl)propanenitrile
CAS Registry Number 80471-36-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H35NO5
InChI InChI=1S/C21H35NO5/c1-17-14-18(16-20(24-10-11-25-20)7-3-4-9-23-2)19(6-5-8-22)21(15-17)26-12-13-27-21/h17-19H,3-7,9-16H2,1-2H3
InChIKey LFYBJUAWRKVVHE-UHFFFAOYSA-N
Molecular Weight 381.513 g/mol
SMILES C12(C(C(CC3(OCCO3)CCCCOC)CC(C1)C)CCC#N)OCCO2
SPLASH splash10-0btc-0920000000-be36ec37cf9c737ab382
Source of Spectrum C-104-1065-0
Wiley ID 1360203