| SpectraBase Compound ID | 8V8YKKlLqLk |
|---|---|
| InChI | InChI=1S/C11H14O2/c1-8(2)13-11(12)10-7-5-4-6-9(10)3/h4-8H,1-3H3 |
| InChIKey | GKOTWEXRHKVLLK-UHFFFAOYSA-N |
| Mol Weight | 178.23 g/mol |
| Molecular Formula | C11H14O2 |
| Exact Mass | 178.09938 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6VkEYuUmNXb |
|---|---|
| Name | Isopropyl ortho toluate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H14O2 |
| InChI | InChI=1S/C11H14O2/c1-8(2)13-11(12)10-7-5-4-6-9(10)3/h4-8H,1-3H3 |
| InChIKey | GKOTWEXRHKVLLK-UHFFFAOYSA-N |
| Ionization Type | EI-B |
| Molecular Weight | 178.231 g/mol |
| SMILES | CC(C)OC(=O)c1ccccc1C |
| SPLASH | splash10-014i-5900000000-6ed9afb724197af1942a |
| Source of Spectrum | SRH-2022-50-0 |
| Synonyms | ortho-Toluic acid isopropyl ester |
| Wiley ID | 1822593 |