| SpectraBase Compound ID | IMdl2jq8EEm |
|---|---|
| InChI | InChI=1S/C12H14O/c1-3-4-5-6-11-7-9-12(13-2)10-8-11/h7-10H,3-4H2,1-2H3 |
| InChIKey | YKPBDKUWBHMBCB-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 | LePhyr8i6M3 |
|---|---|
| Name | 1-Methoxy-4-pent-1-ynyl-benzene |
| 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/c1-3-4-5-6-11-7-9-12(13-2)10-8-11/h7-10H,3-4H2,1-2H3 |
| InChIKey | YKPBDKUWBHMBCB-UHFFFAOYSA-N |
| Molecular Weight | 174.243 g/mol |
| SMILES | C=1(C=CC(=CC1)OC)C#CCCC |