| SpectraBase Spectrum ID |
5VUtkF2iSPv |
| Name |
Diethylmalonic acid, 3,7-dimethyloctyl heptyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
398.339609957 u |
| Formula |
C24H46O4 |
| InChI |
InChI=1S/C24H46O4/c1-7-10-11-12-13-18-27-22(25)24(8-2,9-3)23(26)28-19-17-21(6)16-14-15-20(4)5/h20-21H,7-19H2,1-6H3 |
| InChIKey |
DSAAMKKSTMYUQR-UHFFFAOYSA-N |
| Molecular Weight |
398.628 g/mol |
| SMILES |
CCC(C(OCCCCCCC)=O)(C(OCCC(CCCC(C)C)C)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935833 |
