| SpectraBase Compound ID | K2ZfkKFnSJr |
|---|---|
| InChI | InChI=1S/C23H48O2Si/c1-19(2)12-9-13-20(3)14-10-15-21(4)16-11-17-22(5)18-23(24)25-26(6,7)8/h19-22H,9-18H2,1-8H3/t20-,21-,22?/m1/s1 |
| InChIKey | OHPFDZRPHVRQNT-JAZPPYFYSA-N |
| Mol Weight | 384.7 g/mol |
| Molecular Formula | C23H48O2Si |
| Exact Mass | 384.342357 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CNRV0FL2AGd |
|---|---|
| Name | phytanic acid, 1TMS |
| Comments | Derivatization type: 1 TMS (mass: 384.342); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000683; Note: The molecular formula of the structure shown is C20H40O2 - which differs from the formula reported for the mass spectrum (C23H48O2Si) |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H48O2Si |
| InChI | InChI=1S/C23H48O2Si/c1-19(2)12-9-13-20(3)14-10-15-21(4)16-11-17-22(5)18-23(24)25-26(6,7)8/h19-22H,9-18H2,1-8H3/t20-,21-,22?/m1/s1 |
| InChIKey | OHPFDZRPHVRQNT-JAZPPYFYSA-N |
| Molecular Weight | 384.720 g/mol |
| SMILES | CC(C)CCC[C@@](C)(CCC[C@@](C)(CCCC(C)CC(=O)O[Si](C)(C)C)[H])[H] |
| SPLASH | splash10-066r-0900000000-399252fb20f4db7f0b78 |
| Source of Spectrum | FM-2019-683-0 |
| Synonyms | AIDS058683, 1TMS (3R,S,7R,11R)-Phytanic acid, 1TMS AIDS-058683, 1TMS (7R,11R)-3,7,11,15-tetramethylhexadecanoic acid, 1TMS 14721-66-5, 1TMS (7R,11R)-3,7,11,15-tetramethylhexadecanoic acid, 1TMS Phytanic acid, 1TMS Trimethylsilyl (7R,11R)-3,7,11,15-tetramethylhexadecanoate |
| Wiley ID | 1818361 |