| SpectraBase Compound ID | 2s0Sn7x7G9u |
|---|---|
| InChI | InChI=1S/C16H24O2/c1-11-8-9-13(12(10-11)15(2,3)4)18-14(17)16(5,6)7/h8-10H,1-7H3 |
| InChIKey | HMTIEICAGVOMMG-UHFFFAOYSA-N |
| Mol Weight | 248.37 g/mol |
| Molecular Formula | C16H24O2 |
| Exact Mass | 248.17763 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 58K6Zb8xMDC |
|---|---|
| Name | Propanoic acid, 2,2-dimethyl-, 2-(1,1-dimethylethyl)-4-methylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.177630011 u |
| Formula | C16H24O2 |
| InChI | InChI=1S/C16H24O2/c1-11-8-9-13(12(10-11)15(2,3)4)18-14(17)16(5,6)7/h8-10H,1-7H3 |
| InChIKey | HMTIEICAGVOMMG-UHFFFAOYSA-N |
| Molecular Weight | 248.366 g/mol |
| SMILES | C(OC1=C(C(C)(C)C)C=C(C=C1)C)(C(C)(C)C)=O |