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3-ETHYL-3-(PHENYL-SULFONYL)-PENTADEC-4-YL-BENZOATE

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3-ETHYL-3-(PHENYL-SULFONYL)-PENTADEC-4-YL-BENZOATE
SpectraBase Compound ID KcPUnDYLU8R
InChI InChI=1S/C30H44O4S/c1-4-7-8-9-10-11-12-13-20-25-28(34-29(31)26-21-16-14-17-22-26)30(5-2,6-3)35(32,33)27-23-18-15-19-24-27/h14-19,21-24,28H,4-13,20,25H2,1-3H3
InChIKey VFRMGRXQPNVTMD-UHFFFAOYSA-N
Mol Weight 500.7 g/mol
Molecular Formula C30H44O4S
Exact Mass 500.296031 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FMEVtsRtdgi
Name 3-ETHYL-3-(PHENYL-SULFONYL)-PENTADEC-4-YL-BENZOATE
Compound Number 17F
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H44O4S
InChI InChI=1S/C30H44O4S/c1-4-7-8-9-10-11-12-13-20-25-28(34-29(31)26-21-16-14-17-22-26)30(5-2,6-3)35(32,33)27-23-18-15-19-24-27/h14-19,21-24,28H,4-13,20,25H2,1-3H3
InChIKey VFRMGRXQPNVTMD-UHFFFAOYSA-N
Literature Reference Author L.REHOVA,I.CISAROVA,U.JAHN
Literature Reference Citation EUR.J.ORG.CHEM.,2014,1461(2014)
Literature Reference DOI 10.1002/ejoc.201301553
Molecular Weight 500.737 g/mol
Solvent CDCl3
Source File Reference UWIR18664