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METHYL-3-HYDROXY-3-PHENYL-4-PENTANOATE

View entire compound with spectra: 1 NMR, and 1 MS (GC)

METHYL-3-HYDROXY-3-PHENYL-4-PENTANOATE
SpectraBase Compound ID BXhpEIdlCLL
InChI InChI=1S/C12H16O3/c1-3-12(14,9-11(13)15-2)10-7-5-4-6-8-10/h4-8,14H,3,9H2,1-2H3
InChIKey BSHBGBOFTYYCBX-UHFFFAOYSA-N
Mol Weight 208.26 g/mol
Molecular Formula C12H16O3
Exact Mass 208.109944 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5c9LDbbsfuz
Name METHYL-3-HYDROXY-3-PHENYL-4-PENTANOATE
Compound Number 3B
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H16O3
InChI InChI=1S/C12H16O3/c1-3-12(14,9-11(13)15-2)10-7-5-4-6-8-10/h4-8,14H,3,9H2,1-2H3
InChIKey BSHBGBOFTYYCBX-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 208.257 g/mol
Sample ID 49831
Solvent CDCl3