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METHYL-3-HYDROXY-3-METHYL-5-PHENYL-4-PENTYNOATE

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METHYL-3-HYDROXY-3-METHYL-5-PHENYL-4-PENTYNOATE
SpectraBase Compound ID FtvlaYrFtKQ
InChI InChI=1S/C13H14O3/c1-13(15,10-12(14)16-2)9-8-11-6-4-3-5-7-11/h3-7,15H,10H2,1-2H3
InChIKey JSZMKTABGLRLFL-UHFFFAOYSA-N
Mol Weight 218.25 g/mol
Molecular Formula C13H14O3
Exact Mass 218.094294 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2fwrHs05l3A
Name METHYL-3-HYDROXY-3-METHYL-5-PHENYL-4-PENTYNOATE
Compound Number 3G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H14O3
InChI InChI=1S/C13H14O3/c1-13(15,10-12(14)16-2)9-8-11-6-4-3-5-7-11/h3-7,15H,10H2,1-2H3
InChIKey JSZMKTABGLRLFL-UHFFFAOYSA-N
Literature Reference Author S.E.DENMARK,Y.FAN
Literature Reference Citation J.AM.CHEM.SOC.,124,4233(2002)
Literature Reference DOI 10.1021/ja025670e
Molecular Weight 218.252 g/mol
Sample ID 49836
Solvent CDCl3