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4,5-METHYLENEDIOXY-2-(2-OXO-PENTYL)-BENZOIC-ACID

View entire compound with spectra: 1 NMR, and 2 MS (GC)

4,5-METHYLENEDIOXY-2-(2-OXO-PENTYL)-BENZOIC-ACID
SpectraBase Compound ID 8Lck8kDLv2G
InChI InChI=1S/C13H14O5/c1-2-3-9(14)4-8-5-11-12(18-7-17-11)6-10(8)13(15)16/h5-6H,2-4,7H2,1H3,(H,15,16)
InChIKey DLOOKDRHBJTYBM-UHFFFAOYSA-N
Mol Weight 250.25 g/mol
Molecular Formula C13H14O5
Exact Mass 250.084124 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F7vun8ea25w
Name 4,5-METHYLENEDIOXY-2-(2-OXO-PENTYL)-BENZOIC-ACID
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H14O5
InChI InChI=1S/C13H14O5/c1-2-3-9(14)4-8-5-11-12(18-7-17-11)6-10(8)13(15)16/h5-6H,2-4,7H2,1H3,(H,15,16)
InChIKey DLOOKDRHBJTYBM-UHFFFAOYSA-N
Literature Reference Author A.SAEED
Literature Reference Citation J.HETCYCL.CHEM.,40,337(2003)
Literature Reference DOI 10.1002/jhet.5570400222
Molecular Weight 250.251 g/mol
Solvent CDCl3
Source File Reference UWMS22534