| SpectraBase Compound ID | nxEp5Sox41 |
|---|---|
| InChI | InChI=1S/C20H26O9/c1-2-3-8-28-19(26)20(27)10-15(23)18(25)16(11-20)29-17(24)7-5-12-4-6-13(21)14(22)9-12/h4-7,9,15-16,18,21-23,25,27H,2-3,8,10-11H2,1H3/b7-5+/t15-,16-,18-,20+/m0/s1 |
| InChIKey | VNLREARKISTOAD-JCTHKCCLSA-N |
| Mol Weight | 410.42 g/mol |
| Molecular Formula | C20H26O9 |
| Exact Mass | 410.157682 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J0wAQ3dvHfn |
|---|---|
| Name | BUTYL-5-O-CAFFEOYL-QUINATE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H26O9 |
| InChI | InChI=1S/C20H26O9/c1-2-3-8-28-19(26)20(27)10-15(23)18(25)16(11-20)29-17(24)7-5-12-4-6-13(21)14(22)9-12/h4-7,9,15-16,18,21-23,25,27H,2-3,8,10-11H2,1H3/b7-5+/t15-,16-,18-,20+/m0/s1 |
| InChIKey | VNLREARKISTOAD-JCTHKCCLSA-N |
| Literature Reference Author | L.C.LIN,L.L.YANG,C.J.CHOU |
| Literature Reference Citation | J.CHIN.MED.,13,191(2002) |
| Molecular Weight | 410.421 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWBT16613 |