| SpectraBase Compound ID | 6fNYwtJv1zB |
|---|---|
| InChI | InChI=1S/C12H14O2/c1-9-2-6-11(7-3-9)12(13)14-8-10-4-5-10/h2-3,6-7,10H,4-5,8H2,1H3 |
| InChIKey | IQNAABQFNMPUNR-UHFFFAOYSA-N |
| Mol Weight | 190.24 g/mol |
| Molecular Formula | C12H14O2 |
| Exact Mass | 190.09938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7cb5DfAZray |
|---|---|
| Name | Cyclopropylmethyl-p-toluate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.099379689 u |
| Formula | C12H14O2 |
| InChI | InChI=1S/C12H14O2/c1-9-2-6-11(7-3-9)12(13)14-8-10-4-5-10/h2-3,6-7,10H,4-5,8H2,1H3 |
| InChIKey | IQNAABQFNMPUNR-UHFFFAOYSA-N |
| Molecular Weight | 190.242 g/mol |
| SMILES | C1(C(OCC2CC2)=O)=CC=C(C=C1)C |