| SpectraBase Spectrum ID |
2PV816vt4q |
| Name |
Phytanic acid |
| CAS Registry Number |
18654-64-3 |
| Classification |
Biomolecule |
| Copyright |
Copyright © 2023-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
312.302830526 u |
| Formula |
C20H40O2 |
| InChI |
InChI=1S/C20H40O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h16-19H,6-15H2,1-5H3,(H,21,22) |
| InChIKey |
RLCKHJSFHOZMDR-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
312.538 g/mol |
| SMILES |
C(C(C)C)CCC(C)CCCC(C)CCCC(C)CC(=O)O |
| SPLASH |
splash10-0abi-9400000000-c34abfcff8e5f6569f27 |
| 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_6063 |
