| SpectraBase Compound ID | HnDP78XYpDF |
|---|---|
| InChI | InChI=1S/C10H14O2/c1-3-8-12-10-7-5-4-6-9(10)11-2/h4-7H,3,8H2,1-2H3 |
| InChIKey | FPANKWJAKOGTMU-UHFFFAOYSA-N |
| Mol Weight | 166.22 g/mol |
| Molecular Formula | C10H14O2 |
| Exact Mass | 166.09938 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Lvy60AXh0Ur |
|---|---|
| Name | Guaiacol, N-propyl ether |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.099379689 u |
| Formula | C10H14O2 |
| InChI | InChI=1S/C10H14O2/c1-3-8-12-10-7-5-4-6-9(10)11-2/h4-7H,3,8H2,1-2H3 |
| InChIKey | FPANKWJAKOGTMU-UHFFFAOYSA-N |
| Molecular Weight | 166.220 g/mol |
| SMILES | C1(=CC=CC=C1OCCC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.958126 |