| SpectraBase Spectrum ID |
GARGjqAA9zo |
| Name |
Diphenic acid, di-sec-butyl 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/c1-5-15(3)25-21(23)19-13-9-7-11-17(19)18-12-8-10-14-20(18)22(24)26-16(4)6-2/h7-16H,5-6H2,1-4H3 |
| InChIKey |
AGRVMSRYTBABRZ-UHFFFAOYSA-N |
| Molecular Weight |
354.446 g/mol |
| SMILES |
C1=C(C(=CC=C1)C=1C(=CC=CC1)C(OC(CC)C)=O)C(=O)OC(CC)C |
| Spectrum/Structure Validation Score (Raman) |
0.84655 |
