| SpectraBase Spectrum ID |
HwMmYRX92Xj |
| Name |
Methyl 3-oxo-2-tetradecanoyloctadecanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
522.464810472 u |
| Formula |
C33H62O4 |
| InChI |
InChI=1S/C33H62O4/c1-4-6-8-10-12-14-16-17-19-21-23-25-27-29-31(35)32(33(36)37-3)30(34)28-26-24-22-20-18-15-13-11-9-7-5-2/h32H,4-29H2,1-3H3 |
| InChIKey |
FMYSWTLMSSCYFQ-UHFFFAOYSA-N |
| Molecular Weight |
522.855 g/mol |
| SMILES |
C(C(=O)OC)(C(=O)CCCCCCCCCCCCC)C(=O)CCCCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.885131 |
