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(1''RS)-4-HYDROXY-3-[(2-METHYL-5-(1-METHYLETHYL)-2,4-CYClOHEXADIENYL)-METHYL]-2H-[1]-BENZOPYRAN-2-ONE
SpectraBase Compound ID 8Gv7eOy31vp
InChI InChI=1S/C20H22O3/c1-12(2)14-9-8-13(3)15(10-14)11-17-19(21)16-6-4-5-7-18(16)23-20(17)22/h4-9,12,15,21H,10-11H2,1-3H3
InChIKey JUXSJNAQDTTYLM-UHFFFAOYSA-N
Mol Weight 310.39 g/mol
Molecular Formula C20H22O3
Exact Mass 310.156895 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 28diquRj7wE
Name (1''RS)-4-HYDROXY-3-[(2-METHYL-5-(1-METHYLETHYL)-2,4-CYClOHEXADIENYL)-METHYL]-2H-[1]-BENZOPYRAN-2-ONE
Compound Number 30C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H22O3
InChI InChI=1S/C20H22O3/c1-12(2)14-9-8-13(3)15(10-14)11-17-19(21)16-6-4-5-7-18(16)23-20(17)22/h4-9,12,15,21H,10-11H2,1-3H3
InChIKey JUXSJNAQDTTYLM-UHFFFAOYSA-N
Literature Reference Author G.APPENDINO,G.CRAVOTTO,L.TOMA,R.ANNUNZIATA,G.PALMISANO
Literature Reference Citation J.ORG.CHEM.,59,5556(1994)
Literature Reference DOI 10.1021/jo00098a013
Molecular Weight 310.393 g/mol
Solvent CDCl3
Source File Reference UWCP7447