| SpectraBase Spectrum ID |
DgbptmxIqcv |
| Name |
Phytanic acid ME |
| CAS Registry Number |
1118-77-0 |
| Classification |
Biomolecule |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
326.318480590 u |
| Formula |
C21H42O2 |
| InChI |
InChI=1S/C21H42O2/c1-17(2)10-7-11-18(3)12-8-13-19(4)14-9-15-20(5)16-21(22)23-6/h17-20H,7-16H2,1-6H3 |
| InChIKey |
LAWJUFPULQZGLF-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
326.565 g/mol |
| SMILES |
C(C(C)C)CCC(C)CCCC(C)CCCC(C)CC(=O)OC |
| SPLASH |
splash10-0kmi-9400000000-af67c45eafc1ce5c781e |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_6062 |
