| SpectraBase Spectrum ID |
4mIj4GO5sYC |
| Name |
Dimethylmalonic acid, heptadecyl 4-octyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
482.433510344 u |
| Formula |
C30H58O4 |
| InChI |
InChI=1S/C30H58O4/c1-6-9-11-12-13-14-15-16-17-18-19-20-21-22-23-26-33-28(31)30(4,5)29(32)34-27(24-8-3)25-10-7-2/h27H,6-26H2,1-5H3 |
| InChIKey |
XDUVQGITCMSSBF-UHFFFAOYSA-N |
| Molecular Weight |
482.790 g/mol |
| SMILES |
CCCC(OC(=O)C(C)(C)C(OCCCCCCCCCCCCCCCCC)=O)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948007 |
