| SpectraBase Spectrum ID |
23uEmkR2T0P |
| Name |
Diethylmalonic acid, 3-methylbenzyl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
306.183109313 u |
| Formula |
C18H26O4 |
| InChI |
InChI=1S/C18H26O4/c1-5-11-21-16(19)18(6-2,7-3)17(20)22-13-15-10-8-9-14(4)12-15/h8-10,12H,5-7,11,13H2,1-4H3 |
| InChIKey |
LFTODDGBJXXCTJ-UHFFFAOYSA-N |
| Molecular Weight |
306.402 g/mol |
| SMILES |
CCC(C(OCCC)=O)(C(OCC=1C=C(C)C=CC1)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.911654 |
