| SpectraBase Spectrum ID |
4euNfrh7Kel |
| Name |
4,4'-Carbonyldiphthalic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
358.032481893 u |
| Formula |
C17H10O9 |
| InChI |
InChI=1S/C17H10O9/c18-13(7-1-3-9(14(19)20)11(5-7)16(23)24)8-2-4-10(15(21)22)12(6-8)17(25)26/h1-6H,(H,19,20)(H,21,22)(H,23,24)(H,25,26) |
| InChIKey |
UITKHKNFVCYWNG-UHFFFAOYSA-N |
| Molecular Weight |
358.258 g/mol |
| SMILES |
OC(C=1C(=CC=C(C(C=2C=CC(C(O)=O)=C(C2)C(O)=O)=O)C1)C(O)=O)=O |
| Spectrum/Structure Validation Score (Raman) |
0.986871 |
