| SpectraBase Compound ID | 9whLaKsuHFT |
|---|---|
| InChI | InChI=1S/C31H46O4/c1-19(17-21(32)18-20(2)27(34)35-8)22-11-15-31(7)24-9-10-25-28(3,4)26(33)13-14-29(25,5)23(24)12-16-30(22,31)6/h9,18-19,22-23,25H,10-17H2,1-8H3/b20-18+/t19-,22-,23-,25+,29-,30-,31+/m1/s1 |
| InChIKey | BJEOOTAJBFPONF-HHJIMFCISA-N |
| Mol Weight | 482.7 g/mol |
| Molecular Formula | C31H46O4 |
| Exact Mass | 482.33961 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DAoou59Q6kY |
|---|---|
| Name | METHYLFIRMANOATE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H46O4 |
| InChI | InChI=1S/C31H46O4/c1-19(17-21(32)18-20(2)27(34)35-8)22-11-15-31(7)24-9-10-25-28(3,4)26(33)13-14-29(25,5)23(24)12-16-30(22,31)6/h9,18-19,22-23,25H,10-17H2,1-8H3/b20-18+/t19-,22-,23-,25+,29-,30-,31+/m1/s1 |
| InChIKey | BJEOOTAJBFPONF-HHJIMFCISA-N |
| Literature Reference Author | M.F.D.G.F.D.SILVA,R.H.P.FRANCISCO,A.I.GRAY,J.R.LECHAT,P.G.WA TERMAN |
| Literature Reference Citation | PHYTOCHEM.,29,1629(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)80135-4 |
| Molecular Weight | 482.704 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU32090 |