| SpectraBase Spectrum ID |
BRpAzjEMs8b |
| Name |
Diethylmalonic acid, decyl hept-4-yl 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/c1-6-11-12-13-14-15-16-17-20-27-22(25)24(9-4,10-5)23(26)28-21(18-7-2)19-8-3/h21H,6-20H2,1-5H3 |
| InChIKey |
QBCNRXGULLYPCH-UHFFFAOYSA-N |
| Molecular Weight |
398.628 g/mol |
| SMILES |
CCC(C(OCCCCCCCCCC)=O)(C(OC(CCC)CCC)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.919466 |
