| SpectraBase Spectrum ID |
IATa9FlVFuD |
| Name |
Diethylmalonic acid, di(4-biphenyl) ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
464.198759378 u |
| Formula |
C31H28O4 |
| InChI |
InChI=1S/C31H28O4/c1-3-31(4-2,29(32)34-27-19-15-25(16-20-27)23-11-7-5-8-12-23)30(33)35-28-21-17-26(18-22-28)24-13-9-6-10-14-24/h5-22H,3-4H2,1-2H3 |
| InChIKey |
CAFQWGNJKXSOPN-UHFFFAOYSA-N |
| Molecular Weight |
464.561 g/mol |
| SMILES |
CCC(C(OC1=CC=C(C2=CC=CC=C2)C=C1)=O)(C(OC1=CC=C(C=C1)C1=CC=CC=C1)=O)CC |
