| SpectraBase Compound ID | mlmsYUNhNz |
|---|---|
| InChI | InChI=1S/C22H28O4/c1-16-9-7-13-18(20(23)24)15-19(22(2,3)14-8-10-16)26-21(25)17-11-5-4-6-12-17/h4-6,9,11-12,15,19H,7-8,10,13-14H2,1-3H3,(H,23,24)/b16-9+,18-15+/t19-/m1/s1 |
| InChIKey | DFMUJBWKZFLLCY-WIXOYLSMSA-N |
| Mol Weight | 356.46 g/mol |
| Molecular Formula | C22H28O4 |
| Exact Mass | 356.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AlIvjzDOzUm |
|---|---|
| Name | KUBUBASCHIC ACID BENZOATE |
| Compound Number | 328 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI | InChI=1S/C22H28O4/c1-16-9-7-13-18(20(23)24)15-19(22(2,3)14-8-10-16)26-21(25)17-11-5-4-6-12-17/h4-6,9,11-12,15,19H,7-8,10,13-14H2,1-3H3,(H,23,24)/b16-9+,18-15+/t19-/m1/s1 |
| InChIKey | DFMUJBWKZFLLCY-WIXOYLSMSA-N |
| Literature Reference | A.UR-RAHMAN,V.U.AHMAD NAT.PROD.VOL.1 |
| Solvent | Chloroform-d |