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 |
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 |