| SpectraBase Spectrum ID |
C64CogKxioa |
| Name |
2-Phenylethyl docosanoate |
| CAS Registry Number |
104899-74-3 |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
444.396730912 u |
| Formula |
C30H52O2 |
| GC Column |
HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness) |
| InChI |
InChI=1S/C30H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-30(31)32-28-27-29-24-21-20-22-25-29/h20-22,24-25H,2-19,23,26-28H2,1H3 |
| InChIKey |
OCCJNJQOJXFKQO-UHFFFAOYSA-N |
| Molecular Weight |
444.744 g/mol |
| Nominal Mass |
444 u |
| Number of Peaks |
254 |
| SMILES |
C(OCCc1ccccc1)(=O)CCCCCCCCCCCCCCCCCCCCC |
| SPLASH |
splash10-0udi-2900000000-bf3d554d1b42d603409a |
| Source |
Populus nigra, SFE extract |
| Source of Spectrum |
Biologically and Environmentally Important Organic Compounds: GCMS Library |
| Wiley ID |
VI001764 |
