| SpectraBase Compound ID | 97NHzw1tLlx |
|---|---|
| InChI | InChI=1S/C12H16O2/c1-9-5-7-10(8-6-9)11(13)14-12(2,3)4/h5-8H,1-4H3 |
| InChIKey | GRUSXPIAJWRLRQ-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 | EeILIHxcO7L |
|---|---|
| Name | T-Butyl 4-methylbenzoate |
| 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/c1-9-5-7-10(8-6-9)11(13)14-12(2,3)4/h5-8H,1-4H3 |
| InChIKey | GRUSXPIAJWRLRQ-UHFFFAOYSA-N |
| Molecular Weight | 192.258 g/mol |
| SMILES | C=1C=C(C(OC(C)(C)C)=O)C=CC1C |