| SpectraBase Spectrum ID |
4GR9Ce3fGPH |
| Name |
Diethylmalonic acid, isobutyl 3-phenoxybenzyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
398.209324061 u |
| Formula |
C24H30O5 |
| InChI |
InChI=1S/C24H30O5/c1-5-24(6-2,22(25)27-16-18(3)4)23(26)28-17-19-11-10-14-21(15-19)29-20-12-8-7-9-13-20/h7-15,18H,5-6,16-17H2,1-4H3 |
| InChIKey |
LTSCTXSGQPPLAX-UHFFFAOYSA-N |
| Molecular Weight |
398.499 g/mol |
| SMILES |
CCC(C(OCC(C)C)=O)(C(OCC1=CC=CC(=C1)OC=1C=CC=CC1)=O)CC |
