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2,2-DIMETHYL-(12-HEXAHYDROAZEPINIO-TRANS-BICYCLO-[9.1.0]-DODECYL-12-YL)-4-OXO-4H-1,3-DIOXIN-6-OLATE
SpectraBase Compound ID JagcR99tQD3
InChI InChI=1S/C24H39NO4/c1-23(2)28-21(26)20(22(27)29-23)24(25-16-12-8-9-13-17-25)18-14-10-6-4-3-5-7-11-15-19(18)24/h18-19,26H,3-17H2,1-2H3/t18-,19+,24-
InChIKey XTEWOTSCNFRJAC-NHKMSHSESA-N
Mol Weight 405.6 g/mol
Molecular Formula C24H39NO4
Exact Mass 405.287909 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 19ON53YAcTP
Name 2,2-DIMETHYL-5-(ENDO-12-HEXAHYDROAZEPINIO-CIS-BICYCLO-[9.1.0]-DODECYL-12-YL)-4-OXO-4H-1,3-DIOXIN-6-OLATE
Compound Number 7BC
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H39NO4
InChI InChI=1S/C24H39NO4/c1-23(2)28-21(26)20(22(27)29-23)24(25-16-12-8-9-13-17-25)18-14-10-6-4-3-5-7-11-15-19(18)24/h18-19,26H,3-17H2,1-2H3/t18-,19+,24-
InChIKey XTEWOTSCNFRJAC-NHKMSHSESA-N
Literature Reference Author J.WEIDNER,E.VILSMAIER,C.HENN
Literature Reference Citation MH.CHEM.,118,1147(1987)
Literature Reference DOI 10.1007/BF00811288
Molecular Weight 405.578 g/mol
Solvent CD3OD/CD3ONA(2.5M)
Source File Reference UWCS3871