| SpectraBase Compound ID | 9hySHRQ4FVE |
|---|---|
| InChI | InChI=1S/C12H14O/c1-5-12(3,4)13-11-8-6-10(2)7-9-11/h1,6-9H,2-4H3 |
| InChIKey | MRRZEGAPNXBDGJ-UHFFFAOYSA-N |
| Mol Weight | 174.24 g/mol |
| Molecular Formula | C12H14O |
| Exact Mass | 174.104465 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 81H8c7HtsrE |
|---|---|
| Name | Toluene, 4-(1,1-dimethyl-2-propynyloxy)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.104465070 u |
| Formula | C12H14O |
| InChI | InChI=1S/C12H14O/c1-5-12(3,4)13-11-8-6-10(2)7-9-11/h1,6-9H,2-4H3 |
| InChIKey | MRRZEGAPNXBDGJ-UHFFFAOYSA-N |
| Molecular Weight | 174.243 g/mol |
| SMILES | C(C#C)(OC=1C=CC(C)=CC1)(C)C |