![ETHYL-3-[(Z)-1-HEXYL-4-HYDROXY-4-PHENYL-1-BUTENYL]-BENZOATE](/api/spectrum/Ip0SOmYBJaR/structure.png?h=300&w=458 "ETHYL-3-[(Z)-1-HEXYL-4-HYDROXY-4-PHENYL-1-BUTENYL]-BENZOATE")
| SpectraBase Compound ID | B9rsdA6zDWA |
|---|---|
| InChI | InChI=1S/C25H32O3/c1-3-5-6-8-12-20(17-18-24(26)21-13-9-7-10-14-21)22-15-11-16-23(19-22)25(27)28-4-2/h7,9-11,13-17,19,24,26H,3-6,8,12,18H2,1-2H3/b20-17- |
| InChIKey | NEPAJCLHLMOYLG-JZJYNLBNSA-N |
| Mol Weight | 380.5 g/mol |
| Molecular Formula | C25H32O3 |
| Exact Mass | 380.235145 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ip0SOmYBJaR |
|---|---|
| Name | ETHYL-3-[(Z)-1-HEXYL-4-HYDROXY-4-PHENYL-1-BUTENYL]-BENZOATE |
| Compound Number | 9C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H32O3 |
| InChI | InChI=1S/C25H32O3/c1-3-5-6-8-12-20(17-18-24(26)21-13-9-7-10-14-21)22-15-11-16-23(19-22)25(27)28-4-2/h7,9-11,13-17,19,24,26H,3-6,8,12,18H2,1-2H3/b20-17- |
| InChIKey | NEPAJCLHLMOYLG-JZJYNLBNSA-N |
| Literature Reference Author | S.E.DENMARK,S.M.YANG |
| Literature Reference Citation | ORG.LETTERS,3,1749(2001) |
| Literature Reference DOI | 10.1021/ol015950j |
| Molecular Weight | 380.527 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU33867 |