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QUYGEGSOVYMIEU-XURGJTJWSA-N
SpectraBase Compound ID G8qGQ0vZVQ2
InChI InChI=1S/C22H30O3/c1-16(2)7-5-8-17(3)9-6-10-18(4)11-12-19-15-20(22(24)25)13-14-21(19)23/h7,9,11,13-15,23H,5-6,8,10,12H2,1-4H3,(H,24,25)/b17-9+,18-11+
InChIKey QUYGEGSOVYMIEU-XURGJTJWSA-N
Mol Weight 342.48 g/mol
Molecular Formula C22H30O3
Exact Mass 342.219495 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IFwQIZ9VZj1
Name 4-HYDROXY-3-(1'-((2'E,6'E)-3',7',11'-TRIMETHYL-2',6',10'-DODECATRIENYL))-BENZOIC-ACID
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H30O3
InChI InChI=1S/C22H30O3/c1-16(2)7-5-8-17(3)9-6-10-18(4)11-12-19-15-20(22(24)25)13-14-21(19)23/h7,9,11,13-15,23H,5-6,8,10,12H2,1-4H3,(H,24,25)/b17-9+,18-11+
InChIKey QUYGEGSOVYMIEU-XURGJTJWSA-N
Literature Reference Author S.J.ROCHFORT,R.J.CAPON
Literature Reference Citation J.NAT.PROD.,57,849(1994)
Literature Reference DOI 10.1021/np50108a029
Molecular Weight 342.478 g/mol
Solvent CDCl3
Source File Reference UWTS1730