| SpectraBase Compound ID | E0jNt9e5ddZ |
|---|---|
| InChI | InChI=1S/C14H18O/c1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)15/h8-9,11-12,15H,2-6H2,1H3 |
| InChIKey | MZMFPWWCIOEZAK-UHFFFAOYSA-N |
| Mol Weight | 202.3 g/mol |
| Molecular Formula | C14H18O |
| Exact Mass | 202.135765 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BSZbDPLC5LK |
|---|---|
| Name | 2-(oct-1-Ynyl)phenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.135765199 u |
| Formula | C14H18O |
| InChI | InChI=1S/C14H18O/c1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)15/h8-9,11-12,15H,2-6H2,1H3 |
| InChIKey | MZMFPWWCIOEZAK-UHFFFAOYSA-N |
| Molecular Weight | 202.297 g/mol |
| SMILES | C=1C=C(C#CCCCCCC)C(=CC1)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.871852 |