| SpectraBase Spectrum ID |
1aK84OPvIBl |
| Name |
Docosanoic acid <2-hydroxy->, methyl ester, mono-TMS |
| CAS Registry Number |
56784-02-2 |
| 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 |
442.384222131 u |
| Formula |
C26H54O3Si |
| GC Column |
HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness) |
| InChI |
InChI=1S/C26H54O3Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26(27)28-2)29-30(3,4)5/h25H,6-24H2,1-5H3 |
| InChIKey |
QSSVMTKWPPSPAQ-UHFFFAOYSA-N |
| Molecular Weight |
442.800 g/mol |
| Nominal Mass |
442 u |
| Number of Peaks |
333 |
| SMILES |
C(CCCCCC)CCCCCCCCCCCCCC(O[Si](C)(C)C)C(OC)=O |
| SPLASH |
splash10-003r-9414200000-7022375ef936d83f27c6 |
| Source |
Ph. pomaceus |
| Source of Spectrum |
Biologically and Environmentally Important Organic Compounds: GCMS Library |
| Synonyms |
2-Hydroxydocosanoic acid methyl ester, mono-TMS |
| Wiley ID |
VI001149 |
