| 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 |
Vapor Phase (Gas) Infrared Spectrum
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | KrkXffsdXIL |
|---|---|
| Name | 1-Methoxy-4-pent-1-ynyl-benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| 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 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.918772 |