| SpectraBase Spectrum ID |
KTFI0NMGBQ1 |
| Name |
Diethylmalonic acid, 4-biphenyl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
354.183109313 u |
| Formula |
C22H26O4 |
| InChI |
InChI=1S/C22H26O4/c1-4-16-25-20(23)22(5-2,6-3)21(24)26-19-14-12-18(13-15-19)17-10-8-7-9-11-17/h7-15H,4-6,16H2,1-3H3 |
| InChIKey |
SSSYTYLONYUNGM-UHFFFAOYSA-N |
| Molecular Weight |
354.446 g/mol |
| SMILES |
CCC(C(OCCC)=O)(C(OC1=CC=C(C=C1)C1=CC=CC=C1)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.822267 |
