| SpectraBase Spectrum ID |
zhFRlkjVH4 |
| Name |
Cyclopropanepentadecanoic acid, 2-octadecyl-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
548.553231556 u |
| Formula |
C37H72O2 |
| InChI |
InChI=1S/C37H72O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-19-22-25-28-31-35-34-36(35)32-29-26-23-20-17-14-15-18-21-24-27-30-33-37(38)39-2/h35-36H,3-34H2,1-2H3 |
| InChIKey |
DBOUCLPBYISYKG-UHFFFAOYSA-N |
| Molecular Weight |
548.981 g/mol |
| SMILES |
C(CCCCCCCCCCCCCC(OC)=O)C1C(CCCCCCCCCCCCCCCCCC)C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.868933 |
