| SpectraBase Spectrum ID |
JpK7HjFAQ8g |
| Name |
Ethyl (R,Z)-6-isopropyl-3-methyl-2-(3-methyl-7-oxooct-3-en-1-yn-1-yl)cyclohexa-1,3-diene-1-carboxylate |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H30O3 |
| InChI |
InChI=1S/C22H30O3/c1-7-25-22(24)21-19(15(2)3)14-12-17(5)20(21)13-11-16(4)9-8-10-18(6)23/h9,12,15,19H,7-8,10,14H2,1-6H3/b16-9-/t19-/m1/s1 |
| InChIKey |
LBGVFUQJFBGYRZ-VPEZWSJASA-N |
| Instrument Name |
Agilent 6890 and Finnigan MAT 95 XL |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.14.222 |
| Molecular Weight |
342.479 g/mol |
| Optical Rotation |
[a]D20 = -4.7 (c = 0.8, CHCl3) |
| Reported Formula |
C22H30O3 |
| SMILES |
C1=C(C(=C([C@](C1)(C(C)C)[H])C(=O)OCC)C#C\C(C)=C/CCC(C)=O)C |
| SPLASH |
splash10-0006-5930000000-976e59704b788a4f8c9a |
| Source of Spectrum |
BJO-14-SM5-14 |
| Thin-Layer Chromatography |
Rf = 0.24 (petroleum ether/EtOAc, 10:1) |
| Wiley ID |
1845719 |
