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TRANS-11-HEXANOYL-7-OXO-3-PENTYL-DISPIRO-[5.1.5.2]-PENTADECAN-CIS-3-CARBONITRILE
SpectraBase Compound ID DJoyHE9D35n
InChI InChI=1S/C27H43NO3/c1-3-5-7-9-23(29)31-22-10-13-26(14-11-22)19-20-27(24(26)30)17-15-25(21-28,16-18-27)12-8-6-4-2/h22H,3-20H2,1-2H3/t22-,25-,26-,27+
InChIKey KTOCEZYEBRGGCI-KTBXYDQGSA-N
Mol Weight 429.6 g/mol
Molecular Formula C27H43NO3
Exact Mass 429.324294 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6mV9ZKZo08Y
Name TRANS-11-HEXANOYL-7-OXO-3-PENTYL-DISPIRO-[5.1.5.2]-PENTADECAN-CIS-3-CARBONITRILE
CAS Registry Number 139564-69-5
Compound Number 17B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H43NO3
InChI InChI=1S/C27H43NO3/c1-3-5-7-9-23(29)31-22-10-13-26(14-11-22)19-20-27(24(26)30)17-15-25(21-28,16-18-27)12-8-6-4-2/h22H,3-20H2,1-2H3/t22-,25-,26-,27+
InChIKey KTOCEZYEBRGGCI-KTBXYDQGSA-N
Literature Reference Author J.BOETTCHER,R.HARTMANN,F.VOEGTLE
Literature Reference Citation CHEM.BER.,125,1865(1992)
Literature Reference DOI 10.1002/cber.19921250813
Molecular Weight 429.643 g/mol
Solvent CDCl3
Source File Reference UWCS13306