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CIS-TRANS-3,11-BIS-(TRANS-4-PENTYLCYCLOHEXANOYL)-DISPIRO-[5.1.5.2]-PENTADECAN-7-ONE
SpectraBase Compound ID 1KdVvI9MDsB
InChI InChI=1S/C39H64O5/c1-3-5-7-9-29-11-15-31(16-12-29)35(40)43-33-19-23-38(24-20-33)27-28-39(37(38)42)25-21-34(22-26-39)44-36(41)32-17-13-30(14-18-32)10-8-6-4-2/h29-34H,3-28H2,1-2H3/t29-,30-,31-,32-,33-,34-,38-,39+
InChIKey IQULJPDQBLGKTP-WFECLNQPSA-N
Mol Weight 612.9 g/mol
Molecular Formula C39H64O5
Exact Mass 612.475375 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JrMQYqdltRy
Name CIS-TRANS-3,11-BIS-(TRANS-4-PENTYLCYCLOHEXANOYL)-DISPIRO-[5.1.5.2]-PENTADECAN-7-ONE
CAS Registry Number 139629-03-1
Compound Number 10B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H64O5
InChI InChI=1S/C39H64O5/c1-3-5-7-9-29-11-15-31(16-12-29)35(40)43-33-19-23-38(24-20-33)27-28-39(37(38)42)25-21-34(22-26-39)44-36(41)32-17-13-30(14-18-32)10-8-6-4-2/h29-34H,3-28H2,1-2H3/t29-,30-,31-,32-,33-,34-,38-,39+
InChIKey IQULJPDQBLGKTP-WFECLNQPSA-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 612.934 g/mol
Solvent C6D6
Source File Reference UWCS13295