| SpectraBase Spectrum ID |
8IBXUZXYLW6 |
| Name |
2,5-Dimethylbenzoic acid |
| CAS Registry Number |
610-72-0 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
150.068079560 u |
| Formula |
C9H10O2 |
| InChI |
InChI=1S/C9H10O2/c1-6-3-4-7(2)8(5-6)9(10)11/h3-5H,1-2H3,(H,10,11) |
| InChIKey |
XZRHNAFEYMSXRG-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
150.177 g/mol |
| Nominal Mass |
150 u |
| Quality |
982 |
| Retention Index |
1316 |
| SMILES |
OC(C1=C(C=CC(=C1)C)C)=O |
| SPLASH |
splash10-0udi-5900000000-36748e0acc0f48353fbf |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2,5-dimethylbenzoic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_006736 |
