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2-METHYL-2-[(7-METHYL-9-OXO-9H-XANTHEN-3-YL)-OXY]-PROPANOIC-ACID
SpectraBase Compound ID JmWJj49iJ5D
InChI InChI=1S/C18H16O5/c1-10-4-7-14-13(8-10)16(19)12-6-5-11(9-15(12)22-14)23-18(2,3)17(20)21/h4-9H,1-3H3,(H,20,21)
InChIKey DNGGEHPDQSULBV-UHFFFAOYSA-N
Mol Weight 312.32 g/mol
Molecular Formula C18H16O5
Exact Mass 312.099774 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L9cgoU3gnzW
Name 2-METHYL-2-[(7-METHYL-9-OXO-9H-XANTHEN-3-YL)-OXY]-PROPANOIC-ACID
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H16O5
InChI InChI=1S/C18H16O5/c1-10-4-7-14-13(8-10)16(19)12-6-5-11(9-15(12)22-14)23-18(2,3)17(20)21/h4-9H,1-3H3,(H,20,21)
InChIKey DNGGEHPDQSULBV-UHFFFAOYSA-N
Literature Reference Author H.MARONA,E.PEKALA,A.GUNIA,Z.CZUBA,E.SZNELER,T.SADOWSKI,W.KRO L
Literature Reference Citation SCI.PHARM.,77,743(2009)
Molecular Weight 312.322 g/mol
Sample ID 2966
Solvent DMSO-D6