| SpectraBase Spectrum ID |
1Z3QCnOv4i6 |
| Name |
ethyl 4-(7-oxododecan-6-yl)benzoate |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
332.235144887 u |
| Formula |
C21H32O3 |
| GC Column |
HP-5MS (0.25 mm x 30 m, film thickness 0.25 micrometer) |
| GC Oven Program |
Oven temp 290oC or 320oC |
| InChI |
InChI=1S/C21H32O3/c1-4-7-9-11-19(20(22)12-10-8-5-2)17-13-15-18(16-14-17)21(23)24-6-3/h13-16,19H,4-12H2,1-3H3 |
| InChIKey |
WJLUFTUHRUNUSE-UHFFFAOYSA-N |
| Instrument Name |
Agilent Technologies 7890A-Agilent 5975C VL MSD or Agilent 5975 inert |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201600710 |
| Molecular Weight |
332.484 g/mol |
| Quality |
208 |
| Reported Formula |
C21H32O3 |
| SMILES |
C(C)OC(C1=CC=C(C=C1)C(CCCCC)C(CCCCC)=O)=O |
| SPLASH |
splash10-001i-6590000000-69707a8c664912dd7d07 |
| Source of Spectrum |
QE-22-SM22-6ag (DOI: 10.1002/chem.201600710) |
| Thin-Layer Chromatography |
0.48 (pentane/EtOAc, 10:1) |
| Wiley ID |
1903174 |
