| SpectraBase Spectrum ID |
2Xjz2CbQr3h |
| Name |
Diethylmalonic acid, ethyl 3-methylbutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
258.183109313 u |
| Formula |
C14H26O4 |
| InChI |
InChI=1S/C14H26O4/c1-6-14(7-2,12(15)17-8-3)13(16)18-10-9-11(4)5/h11H,6-10H2,1-5H3 |
| InChIKey |
QCIDMQCYLCBJDH-UHFFFAOYSA-N |
| Molecular Weight |
258.358 g/mol |
| SMILES |
CCC(C(OCC)=O)(C(OCCC(C)C)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.98893 |
