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(8R(*),12R(*),13R(*),14E)-9-oxo-13-(phenylthio)-10-oxaprost-14-en-5-ynenitrile

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(8R(*),12R(*),13R(*),14E)-9-oxo-13-(phenylthio)-10-oxaprost-14-en-5-ynenitrile
SpectraBase Compound ID 65XhNU8kQbj
InChI InChI=1S/C25H31NO2S/c1-2-3-4-6-13-18-24(29-21-15-10-9-11-16-21)23-20-28-25(27)22(23)17-12-7-5-8-14-19-26/h9-11,13,15-16,18,22-24H,2-6,8,14,17,20H2,1H3/b18-13+/t22-,23+,24-/m1/s1
InChIKey DKXJSZIGQJZUAR-FEBKFOSZSA-N
Mol Weight 409.59 g/mol
Molecular Formula C25H31NO2S
Exact Mass 409.20755 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AKSFVfb4tcd
Name (8R*,12R*,13R*,14E)-9-OXO-13-(PHENYLTHIO)-10-OXA-PROST-14-EN-5-YNE-NITRILE
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H31NO2S
InChI InChI=1S/C25H31NO2S/c1-2-3-4-6-13-18-24(29-21-15-10-9-11-16-21)23-20-28-25(27)22(23)17-12-7-5-8-14-19-26/h9-11,13,15-16,18,22-24H,2-6,8,14,17,20H2,1H3/b18-13+/t22-,23+,24-/m1/s1
InChIKey DKXJSZIGQJZUAR-FEBKFOSZSA-N
Literature Reference Author R.K.HAYNES,P.A.SCHOBER
Literature Reference Citation AUSTR.J.CHEM.,40,1249(1987)
Literature Reference DOI 10.1071/ch9871249
Molecular Weight 409.587 g/mol
Solvent CDCl3
Source File Reference UWWR51