| SpectraBase Compound ID | 9NsIccUTnFA |
|---|---|
| InChI | InChI=1S/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10)/i8+1 |
| InChIKey | LPNBBFKOUUSUDB-VJJZLTLGSA-N |
| Mol Weight | 137.14 g/mol |
| Molecular Formula | C713CH8O2 |
| Exact Mass | 137.055784 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8vUgdKeHYGv |
|---|---|
| Name | 4-Methylbenzoic acid |
| Comments | Less than 3 mono-isotopic peaks; Original formula: C7[13C]H8O2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H8O2 |
| InChI | InChI=1S/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10)/i8+1 |
| InChIKey | LPNBBFKOUUSUDB-VJJZLTLGSA-N |
| Molecular Weight | 137.142 g/mol |
| SMILES | O[13C](c1ccc(cc1)C)=O |
| SPLASH | splash10-000i-0900000000-2628c98d57cc50601aef |
| Source of Spectrum | C-109-558-0 |
| Wiley ID | 1136087 |