| SpectraBase Spectrum ID |
8JrbMj7V9Ga |
| Name |
1,2-Benzenedicarboxylic acid |
| CAS Registry Number |
88-99-3 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found) |
| 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)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12) |
| InChIKey |
XNGIFLGASWRNHJ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
166.132 g/mol |
| Nominal Mass |
166 u |
| Quality |
973 |
| Retention Index |
1643 |
| SMILES |
OC(C=1C(C(=O)O)=CC=CC1)=O |
| SPLASH |
splash10-0udi-9800000000-bd9d1ac8d6514edc29f4 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
benzene-1,2-dicarboxylic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_008158 |
