| SpectraBase Spectrum ID |
3NRNREjKCg8 |
| Name |
(2E,4S,6S,8Z)-5,5-dimethyl-6-(3-nitrobenzoyloxy)-2,8-dodecadien-10-yn-4-ol |
| Alternate Name(s) |
(2E,4S,6S,8Z)-4-hydroxy-5,5-dimethyldodeca-2,8-dien-10-yn-6-yl 3-nitrobenzoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H25NO5 |
| InChI |
InChI=1S/C21H25NO5/c1-5-7-8-9-14-19(21(3,4)18(23)11-6-2)27-20(24)16-12-10-13-17(15-16)22(25)26/h6,8-13,15,18-19,23H,14H2,1-4H3/b9-8-,11-6+/t18-,19-/m0/s1 |
| InChIKey |
KNZCTXQLJKITOA-XCKJFOGTSA-N |
| Literature Reference DOI |
10.1002/anie.201501922 |
| Molecular Weight |
371.433 g/mol |
| SMILES |
O[C@@](\C=C\C)(C(C)([C@@](OC(c1cc(ccc1)[N+](=O)[O-])=O)(C\C=C/C#CC)[H])C)[H] |
| SPLASH |
splash10-0uxr-0900000000-6f9ac0a0949bec11073b |
| Source of Spectrum |
ACI-54-7086/SMS17-26 |
| Wiley ID |
1761223 |
