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4-OXOPENTYL-4-METHYLBENZOATE

View entire compound with spectra: 1 NMR

4-OXOPENTYL-4-METHYLBENZOATE
SpectraBase Compound ID 97U1AutFmSD
InChI InChI=1S/C13H16O3/c1-10-5-7-12(8-6-10)13(15)16-9-3-4-11(2)14/h5-8H,3-4,9H2,1-2H3
InChIKey UBGOTPOTMKYJOI-UHFFFAOYSA-N
Mol Weight 220.27 g/mol
Molecular Formula C13H16O3
Exact Mass 220.109944 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6KJMECCNBnP
Name 4-OXOPENTYL-4-METHYLBENZOATE
Compound Number 2C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H16O3
InChI InChI=1S/C13H16O3/c1-10-5-7-12(8-6-10)13(15)16-9-3-4-11(2)14/h5-8H,3-4,9H2,1-2H3
InChIKey UBGOTPOTMKYJOI-UHFFFAOYSA-N
Literature Reference Author K.KOESTLER,H.ROSEMEYER
Literature Reference Citation MOLECULES,14,4326(2009)
Literature Reference DOI 10.3390/molecules14114326
Molecular Weight 220.268 g/mol
Sample ID 69874
Solvent DMSO-D6