| SpectraBase Spectrum ID |
5H6QzQN6bg |
| Name |
Carboxyibuprofen |
| CAS Registry Number |
15935-54-3 |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
236.104858991 u |
| Formula |
C13H16O4 |
| InChI |
InChI=1S/C13H16O4/c1-8(12(14)15)7-10-3-5-11(6-4-10)9(2)13(16)17/h3-6,8-9H,7H2,1-2H3,(H,14,15)(H,16,17) |
| InChIKey |
DIVLBIVDYADZPL-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
236.267 g/mol |
| Nominal Mass |
236 u |
| Quality |
974 |
| SMILES |
OC(C(C=1C=CC(CC(C(=O)O)C)=CC1)C)=O |
| SPLASH |
splash10-02tc-3900000000-ab5c556d51803a8e0753 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3-(4-(1-carboxyethyl)phenyl)-2-methylpropanoic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_034624 |
