| SpectraBase Spectrum ID |
AxkOCqFM5N1 |
| Name |
Ethyl (4E,8E)-2-(1-13C-acetyl)-5,9,13-trimethyl-4,8,12-tetradecatrienoate |
| Appearance |
Colourless oil |
| Comments |
Original formula: C20[13C]H34O3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H34O3 |
| InChI |
InChI=1S/C21H34O3/c1-7-24-21(23)20(19(6)22)15-14-18(5)13-9-12-17(4)11-8-10-16(2)3/h10,12,14,20H,7-9,11,13,15H2,1-6H3/b17-12+,18-14+/i19+1 |
| InChIKey |
GHXUMRYRVPOWGD-ZVAAONRESA-N |
| Instrument Name |
Agilent 7890B-5977A |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201812216 |
| Molecular Weight |
335.492 g/mol |
| SMILES |
C([13C](C)=O)(C(OCC)=O)C\C=C\(CC\C=C\(CCC=C(C)C)C)C |
| SPLASH |
splash10-067l-9310000000-a8166b78d1b5ab12dbc5 |
| Source of Spectrum |
ACI-58-SM52-S2 |
| Thin-Layer Chromatography |
Rf = 0.41 (cyclohexane/EtOAc, 5:1) |
| Wiley ID |
1840425 |
