| SpectraBase Spectrum ID |
IIvcJWxPdS3 |
| Name |
Diethylmalonic acid, 2,6-dimethoxyphenyl heptyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
394.235538809 u |
| Formula |
C22H34O6 |
| InChI |
InChI=1S/C22H34O6/c1-6-9-10-11-12-16-27-20(23)22(7-2,8-3)21(24)28-19-17(25-4)14-13-15-18(19)26-5/h13-15H,6-12,16H2,1-5H3 |
| InChIKey |
LYJUSXCPDRLVDD-UHFFFAOYSA-N |
| Molecular Weight |
394.508 g/mol |
| SMILES |
COC1=C(C(=CC=C1)OC)OC(C(C(OCCCCCCC)=O)(CC)CC)=O |
