| SpectraBase Compound ID | 6xmTeWI1P8g |
|---|---|
| InChI | InChI=1S/C12H16O2/c1-9-6-5-7-10(8-9)14-11(13)12(2,3)4/h5-8H,1-4H3 |
| InChIKey | CHJUBXZEBVYVQV-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 | F9h3ISuLUBR |
|---|---|
| Name | 2,2-Dimethylpropanoic acid, 3-methylphenyl 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/c1-9-6-5-7-10(8-9)14-11(13)12(2,3)4/h5-8H,1-4H3 |
| InChIKey | CHJUBXZEBVYVQV-UHFFFAOYSA-N |
| Molecular Weight | 192.258 g/mol |
| SMILES | C(C(=O)OC1=CC(C)=CC=C1)(C)(C)C |