| SpectraBase Compound ID | 48YMoCngKY2 |
|---|---|
| InChI | InChI=1S/C12H16O2/c1-10-6-8-11(9-7-10)4-3-5-12(13)14-2/h6-9H,3-5H2,1-2H3 |
| InChIKey | RWYCVUAUOUCQAN-UHFFFAOYSA-N |
| Mol Weight | 192.26 g/mol |
| Molecular Formula | C12H16O2 |
| Exact Mass | 192.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LkbXEvnVm84 |
|---|---|
| Name | Benzenebutanoic acid, 4-methyl-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.115029753 u |
| Formula | C12H16O2 |
| InChI | InChI=1S/C12H16O2/c1-10-6-8-11(9-7-10)4-3-5-12(13)14-2/h6-9H,3-5H2,1-2H3 |
| InChIKey | RWYCVUAUOUCQAN-UHFFFAOYSA-N |
| Molecular Weight | 192.258 g/mol |
| SMILES | C(=O)(OC)CCCC=1C=CC(=CC1)C |