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Patagonic-acid

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

Patagonic-acid
SpectraBase Compound ID EUGoFDxIzQ6
InChI InChI=1S/C20H28O4/c1-13-7-10-20(3)15(17(21)22)5-4-6-16(20)19(13,2)11-8-14-9-12-24-18(14)23/h5,9,13,16H,4,6-8,10-12H2,1-3H3,(H,21,22)/t13-,16-,19+,20+/m1/s1
InChIKey WUUOACSBQPHDQM-MPRPZVOOSA-N
Mol Weight 332.44 g/mol
Molecular Formula C20H28O4
Exact Mass 332.198759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2l3QIimPtEw
Name PATAGONIC-ACID
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H28O4
InChI InChI=1S/C20H28O4/c1-13-7-10-20(3)15(17(21)22)5-4-6-16(20)19(13,2)11-8-14-9-12-24-18(14)23/h5,9,13,16H,4,6-8,10-12H2,1-3H3,(H,21,22)/t13-,16-,19+,20+/m1/s1
InChIKey WUUOACSBQPHDQM-MPRPZVOOSA-N
Literature Reference Author M.E.F.PINTO,M.S.D.SILVA,E.SCHINDLER,J.M.B.FILHO,R.D.S.E.BACH A
Literature Reference Citation J.BRAZ.CHEM.SOC.,21,1819(2010)
Literature Reference DOI 10.1590/s0103-50532010001000005
Molecular Weight 332.440 g/mol
Source File Reference UWBT5994