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DECARBOXYCITRINONE

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

DECARBOXYCITRINONE
SpectraBase Compound ID E1MktfirPQ5
InChI InChI=1S/C12H12O4/c1-5-7(3)16-12(15)11-9(14)4-8(13)6(2)10(5)11/h4,13-14H,1-3H3
InChIKey KSXQRSIXHZOLHH-UHFFFAOYSA-N
Mol Weight 220.22 g/mol
Molecular Formula C12H12O4
Exact Mass 220.073559 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5G5KNNPvium
Name DECARBOXYCITRINONE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H12O4
InChI InChI=1S/C12H12O4/c1-5-7(3)16-12(15)11-9(14)4-8(13)6(2)10(5)11/h4,13-14H,1-3H3
InChIKey KSXQRSIXHZOLHH-UHFFFAOYSA-N
Literature Reference Author A.C.WHYTE,J.B.GLOER,J.A.SCOTT,D.MALLOCH
Literature Reference Citation J.NAT.PROD.,59,765(1996)
Literature Reference DOI 10.1021/np9603232
Molecular Weight 220.225 g/mol
Solvent ACETONE-D6
Source File Reference UWVP774