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cis,trans-3,11-Dihexanoyldispiro[5.1.5.2]pentadecan-7-one
SpectraBase Compound ID 5tNhDQV7597
InChI InChI=1S/C27H44O5/c1-3-5-7-9-23(28)31-21-11-15-26(16-12-21)19-20-27(25(26)30)17-13-22(14-18-27)32-24(29)10-8-6-4-2/h21-22H,3-20H2,1-2H3/t21-,22-,26-,27+
InChIKey BLILEQORKBDQFL-SFEYOOOBSA-N
Mol Weight 448.6 g/mol
Molecular Formula C27H44O5
Exact Mass 448.318875 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4bQjdssBi1e
Name CIS-TRANS-3,11-DIHEXANOYL-DISPIRO-[5.1.5.2]-PENTADECAN-7-ONE
CAS Registry Number 139629-01-9
Compound Number 9B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H44O5
InChI InChI=1S/C27H44O5/c1-3-5-7-9-23(28)31-21-11-15-26(16-12-21)19-20-27(25(26)30)17-13-22(14-18-27)32-24(29)10-8-6-4-2/h21-22H,3-20H2,1-2H3/t21-,22-,26-,27+
InChIKey BLILEQORKBDQFL-SFEYOOOBSA-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 448.643 g/mol
Solvent C6D6
Source File Reference UWCS13292