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METHYL-8-HYDROXY-2,2-DIMETHYL-8-(2-PENTYLOXYPHENYL)-OCT-5-YNOATE
SpectraBase Compound ID BeiGG9C3mED
InChI InChI=1S/C22H32O4/c1-5-6-12-17-26-20-15-10-9-13-18(20)19(23)14-8-7-11-16-22(2,3)21(24)25-4/h9-10,13,15,19,23H,5-6,11-12,14,16-17H2,1-4H3
InChIKey PDKQCRIDKNKPJF-UHFFFAOYSA-N
Mol Weight 360.5 g/mol
Molecular Formula C22H32O4
Exact Mass 360.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IOarH8Lbib1
Name METHYL-8-HYDROXY-2,2-DIMETHYL-8-(2-PENTYLOXYPHENYL)-OCT-5-YNOATE
Compound Number 26
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H32O4
InChI InChI=1S/C22H32O4/c1-5-6-12-17-26-20-15-10-9-13-18(20)19(23)14-8-7-11-16-22(2,3)21(24)25-4/h9-10,13,15,19,23H,5-6,11-12,14,16-17H2,1-4H3
InChIKey PDKQCRIDKNKPJF-UHFFFAOYSA-N
Literature Reference Author F.CAIJO,P.MOSSET,R.GREE,V.AUDINOT-BOUCHEZ,J.BOUTIN,P.RENARD, D.H.CAIGNARD,C.DACQU
Literature Reference Citation EUR.J.ORG.CHEM.,2181(2006)
Literature Reference DOI 10.1002/ejoc.200500918
Molecular Weight 360.494 g/mol
Sample ID 46614
Solvent CDCl3