| SpectraBase Compound ID | KfVVU1LFfbe |
|---|---|
| InChI | InChI=1S/C11H14O2/c1-8(2)13-11(12)10-7-5-4-6-9(10)3/h4-8H,1-3H3/i8D |
| InChIKey | GKOTWEXRHKVLLK-BNEYPBHNSA-N |
| Mol Weight | 179.24 g/mol |
| Molecular Formula | C11H132DO2 |
| Exact Mass | 179.105656 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CKVaLHOJO13 |
|---|---|
| Name | Isopropyl ortho toluate (2-d1) |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H13DO2 |
| InChI | InChI=1S/C11H14O2/c1-8(2)13-11(12)10-7-5-4-6-9(10)3/h4-8H,1-3H3/i8D |
| InChIKey | GKOTWEXRHKVLLK-BNEYPBHNSA-N |
| Ionization Type | EI-B |
| Molecular Weight | 179.237 g/mol |
| SMILES | C([2H])(C)(C)OC(=O)c1ccccc1C |
| SPLASH | splash10-014i-7900000000-09f99c64240a8f6cfe54 |
| Source of Spectrum | SRH-2022-62-0 |
| Wiley ID | 1822604 |