| SpectraBase Spectrum ID |
IM9Q4DtHiNM |
| Name |
Ethyl (2E,6E,10E)-(3-13C)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoate |
| Appearance |
Colourless oil |
| Comments |
Original formula: C21[13C]H36O2 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H36O2 |
| InChI |
InChI=1S/C22H36O2/c1-7-24-22(23)17-21(6)16-10-15-20(5)14-9-13-19(4)12-8-11-18(2)3/h11,13,15,17H,7-10,12,14,16H2,1-6H3/b19-13+,20-15+,21-17+/i21+1 |
| InChIKey |
BFYVSGCRUDETNO-OAESBPGYSA-N |
| Instrument Name |
Agilent 7890B-5977A |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201812216 |
| Molecular Weight |
333.520 g/mol |
| SMILES |
C(\[13C](C)=C\C(OCC)=O)C\C=C\(CC\C=C\(CCC=C(C)C)C)C |
| SPLASH |
splash10-015c-9300000000-2ee7e1af1686ef89950a |
| Sample Comments |
E/Z = 10:1 |
| Source of Spectrum |
ACI-58-SM53-(2E)-S4 |
| Thin-Layer Chromatography |
Rf = 0.81 (cyclohexane/EtOAc, 5:1) |
| Wiley ID |
1840405 |
