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

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METHYL-3-HYDROXY-3-PHENYL-4-PENTYNOATE
SpectraBase Compound ID 22Q2RRn8zN1
InChI InChI=1S/C12H12O3/c1-3-12(14,9-11(13)15-2)10-7-5-4-6-8-10/h1,4-8,14H,9H2,2H3
InChIKey FAJSDZOKZSUGEU-UHFFFAOYSA-N
Mol Weight 204.22 g/mol
Molecular Formula C12H12O3
Exact Mass 204.078644 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4EZN75VKNzR
Name METHYL-3-HYDROXY-3-PHENYL-4-PENTYNOATE
Compound Number 3C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H12O3
InChI InChI=1S/C12H12O3/c1-3-12(14,9-11(13)15-2)10-7-5-4-6-8-10/h1,4-8,14H,9H2,2H3
InChIKey FAJSDZOKZSUGEU-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 204.225 g/mol
Sample ID 49832
Solvent CDCl3