| SpectraBase Spectrum ID |
ESVMOfv75pY |
| Name |
14-Hydroxystearic acid, phenacyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
418.308309828 u |
| Formula |
C26H42O4 |
| InChI |
InChI=1S/C26H42O4/c1-2-3-19-24(27)20-15-10-8-6-4-5-7-9-11-16-21-26(29)30-22-25(28)23-17-13-12-14-18-23/h12-14,17-18,24,27H,2-11,15-16,19-22H2,1H3 |
| InChIKey |
VJSLEGCGOJTZFK-UHFFFAOYSA-N |
| Molecular Weight |
418.618 g/mol |
| SMILES |
C(COC(CCCCCCCCCCCCC(CCCC)O)=O)(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.913419 |
