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1,4-Dioxaspiro[4.5]decane-6-propanamine, 7-[[2-(4-methoxybutyl)-1,3-dioxolan-2-yl]methyl]-9-methyl-, (6.alpha.,7.alpha.,9.beta.)-(.+-.)-

View entire compound with spectra: 1 MS (GC)

1,4-Dioxaspiro[4.5]decane-6-propanamine, 7-[[2-(4-methoxybutyl)-1,3-dioxolan-2-yl]methyl]-9-methyl-, (6.alpha.,7.alpha.,9.beta.)-(.+-.)-
SpectraBase Compound ID GAmsbQ1zP7E
InChI InChI=1S/C21H39NO5/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,3-16,22H2,1-2H3/t17-,18+,19-/m1/s1
InChIKey HBHFQDQWTSNYNY-CEXWTWQISA-N
Mol Weight 385.5 g/mol
Molecular Formula C21H39NO5
Exact Mass 385.282823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7RCVw1PNAuc
Name 1,4-Dioxaspiro[4.5]decane-6-propanamine, 7-[[2-(4-methoxybutyl)-1,3-dioxolan-2-yl]methyl]-9-methyl-, (6.alpha.,7.alpha.,9.beta.)-(.+-.)-
CAS Registry Number 80513-62-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H39NO5
InChI InChI=1S/C21H39NO5/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,3-16,22H2,1-2H3/t17-,18+,19-/m1/s1
InChIKey HBHFQDQWTSNYNY-CEXWTWQISA-N
Molecular Weight 385.545 g/mol
SMILES NCCC[C@@]1([C@](CC2(OCCO2)CCCCOC)(C[C@](CC11OCCO1)(C)[H])[H])[H]
SPLASH splash10-08fr-0911000000-8c2da75d4de694a4d862
Source of Spectrum C-104-1066-0
Synonyms (6RS,7RS,9RS)-and(6SR,7SR,9RS)-7-(2-(4-methoxybutyl)-1,3-dioxolan-2-yl)methyl)-9-methyl-1,4-dioxaspiro[4.5]decane-6-propanamine 3-((6R,7S,9R)-7-{[2-(4-methoxybutyl)-1,3-dioxolan-2-yl]methyl}-9-methyl-1,4-dioxaspiro[4.5]dec-6-yl)-1-propanamine 3-((6R,7S,9R)-7-{[2-(4-methoxybutyl)-1,3-dioxolan-2-yl]methyl}-9-methyl-1,4-dioxaspiro[4.5]dec-6-yl)propylamine
Wiley ID 1362237