| SpectraBase Spectrum ID |
AYQftMZW0vX |
| Name |
Dimethylmalonic acid, butyl 3-phenylpropyl 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/c1-4-5-13-21-16(19)18(2,3)17(20)22-14-9-12-15-10-7-6-8-11-15/h6-8,10-11H,4-5,9,12-14H2,1-3H3 |
| InChIKey |
IGLQCEOLMBDNKO-UHFFFAOYSA-N |
| Molecular Weight |
306.402 g/mol |
| SMILES |
CCCCOC(C(C(=O)OCCCC1=CC=CC=C1)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.914793 |
