| SpectraBase Spectrum ID |
2Yqvqdz56rN |
| Name |
Dimethylmalonic acid, cis-4-methylcyclohexyl pentadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
438.370910086 u |
| Formula |
C27H50O4 |
| InChI |
InChI=1S/C27H50O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-22-30-25(28)27(3,4)26(29)31-24-20-18-23(2)19-21-24/h23-24H,5-22H2,1-4H3 |
| InChIKey |
WWAIVOXWWCNTJR-UHFFFAOYSA-N |
| Molecular Weight |
438.693 g/mol |
| SMILES |
C1C(CCC(C1)OC(C(C(OCCCCCCCCCCCCCCC)=O)(C)C)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.841318 |
