| SpectraBase Spectrum ID |
TKfXuYN4S |
| Name |
Isophthalic acid |
| CAS Registry Number |
121-91-5 |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
166.026608669 u |
| Formula |
C8H6O4 |
| InChI |
InChI=1S/C8H6O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)(H,11,12) |
| InChIKey |
QQVIHTHCMHWDBS-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
166.132 g/mol |
| Nominal Mass |
166 u |
| Quality |
995 |
| Retention Index |
1196 |
| SMILES |
OC(C1=CC(C(=O)O)=CC=C1)=O |
| SPLASH |
splash10-014j-8900000000-bfc1a062da412c33d383 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
benzene-1,3-dicarboxylic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_026126 |
