| SpectraBase Compound ID | bRJpwW195Q |
|---|---|
| InChI | InChI=1S/C13H18O2/c1-10-6-5-7-11(8-10)9-15-12(14)13(2,3)4/h5-8H,9H2,1-4H3 |
| InChIKey | IISSLUMAZIHNOX-UHFFFAOYSA-N |
| Mol Weight | 206.28 g/mol |
| Molecular Formula | C13H18O2 |
| Exact Mass | 206.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GoPTAEUBmAl |
|---|---|
| Name | (3-Methylphenyl)methyl 2,2-dimethylpropanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.130679818 u |
| Formula | C13H18O2 |
| InChI | InChI=1S/C13H18O2/c1-10-6-5-7-11(8-10)9-15-12(14)13(2,3)4/h5-8H,9H2,1-4H3 |
| InChIKey | IISSLUMAZIHNOX-UHFFFAOYSA-N |
| Molecular Weight | 206.285 g/mol |
| SMILES | C(C(C)(C)C)(OCC1=CC(C)=CC=C1)=O |