| SpectraBase Compound ID | 9WyvLmvtwyr |
|---|---|
| InChI | InChI=1S/C11H12O3/c1-8(12)5-6-9-3-2-4-10(7-9)11(13)14/h2-4,7H,5-6H2,1H3,(H,13,14) |
| InChIKey | AMGOUTDTRFGLSH-UHFFFAOYSA-N |
| Mol Weight | 192.21 g/mol |
| Molecular Formula | C11H12O3 |
| Exact Mass | 192.078644 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Dh6nExmzpUS |
|---|---|
| Name | 3-(3-ketobutyl)benzoic acid |
| Alternate Name(s) | 3-(3-oxidanylidenebutyl)benzoic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H12O3 |
| InChI | InChI=1S/C11H12O3/c1-8(12)5-6-9-3-2-4-10(7-9)11(13)14/h2-4,7H,5-6H2,1H3,(H,13,14) |
| InChIKey | AMGOUTDTRFGLSH-UHFFFAOYSA-N |
| Molecular Weight | 192.214 g/mol |
| SMILES | OC(c1cc(CCC(=O)C)ccc1)=O |
| SPLASH | splash10-002f-8900000000-63b967816d60e49809b1 |
| Wiley ID | 1511925 |