| SpectraBase Compound ID | ASfl52KRc0V |
|---|---|
| InChI | InChI=1S/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10)/i1D3,2D,3D,4D,5D |
| InChIKey | LPNBBFKOUUSUDB-AAYPNNLASA-N |
| Mol Weight | 143.19 g/mol |
| Molecular Formula | C8HD7O2 |
| Exact Mass | 143.096367 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B3Sj6W61hvk |
|---|---|
| Name | 4-Methylbenzoic acid (D7) |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8HD7O2 |
| InChI | InChI=1S/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10)/i1D3,2D,3D,4D,5D |
| InChIKey | LPNBBFKOUUSUDB-AAYPNNLASA-N |
| Molecular Weight | 143.193 g/mol |
| SMILES | OC(c1c(c(c(c(c1[D])[D])C([D])([D])[D])[D])[D])=O |
| SPLASH | splash10-002g-9800000000-82d628242a6ecfa9634f |
| Wiley ID | 1485878 |