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FIRMANOIC-ACID
SpectraBase Compound ID 7p9RkiFeeQZ
InChI InChI=1S/C30H44O4/c1-18(16-20(31)17-19(2)26(33)34)21-10-14-30(7)23-8-9-24-27(3,4)25(32)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,17-18,21-22,24H,9-16H2,1-7H3,(H,33,34)/b19-17+/t18-,21-,22-,24+,28-,29-,30+/m1/s1
InChIKey VHBAGJSLBGJYBT-WTIZRIRNSA-N
Mol Weight 468.7 g/mol
Molecular Formula C30H44O4
Exact Mass 468.32396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 91wpTsgglT6
Name FIRMANOIC-ACID
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H44O4
InChI InChI=1S/C30H44O4/c1-18(16-20(31)17-19(2)26(33)34)21-10-14-30(7)23-8-9-24-27(3,4)25(32)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,17-18,21-22,24H,9-16H2,1-7H3,(H,33,34)/b19-17+/t18-,21-,22-,24+,28-,29-,30+/m1/s1
InChIKey VHBAGJSLBGJYBT-WTIZRIRNSA-N
Literature Reference Author S.LAVOIE,C.GAUTHIER,J.LEGAULT,S.MERCIER,V.MSHVILDADZE,A.PICH ETTE
Literature Reference Citation BEIL.J.ORG.CHEM.,9,1333(2013)
Literature Reference DOI 10.3762/bjoc.9.150
Molecular Weight 468.677 g/mol
Solvent CD3OD
Source File Reference UWLU77118