| SpectraBase Compound ID | 1TKaGdn1u1Y |
|---|---|
| InChI | InChI=1S/C23H35BrO2/c1-18(9-5-10-19(2)12-8-16-24)11-6-13-20(3)22-17-21(22)14-7-15-23(25)26-4/h6,11,13,19-22H,5,7,9-10,12,14-15,17H2,1-4H3/b13-6+,18-11-/t19?,20?,21-,22+/m1/s1 |
| InChIKey | QKSQHUJBUPFKLU-WWWYZVRESA-N |
| Mol Weight | 423.4 g/mol |
| Molecular Formula | C23H35BrO2 |
| Exact Mass | 422.182043 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2RxGUOVdxCV |
|---|---|
| Name | 18-BROMO-5,6-TRANS-ENDOMETHYLENE-7,11,15-TRIMETHYL-(8E,10Z)-OCTADECA-8,10-DIENE-17-YNOIC-ACID-METHYLESTER |
| Compound Number | H |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H35BrO2 |
| InChI | InChI=1S/C23H35BrO2/c1-18(9-5-10-19(2)12-8-16-24)11-6-13-20(3)22-17-21(22)14-7-15-23(25)26-4/h6,11,13,19-22H,5,7,9-10,12,14-15,17H2,1-4H3/b13-6+,18-11-/t19?,20?,21-,22+/m1/s1 |
| InChIKey | QKSQHUJBUPFKLU-WWWYZVRESA-N |
| Literature Reference Author | T.REZANKA,V.DEMBITSKY |
| Literature Reference Citation | PHYTOCHEM.,51,963(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(99)00034-5 |
| Molecular Weight | 423.434 g/mol |
| Solvent | Unknown |