| SpectraBase Compound ID | 40iOOkGD3KN |
|---|---|
| InChI | InChI=1S/C12H18O2/c1-2-3-9-13-10-11-14-12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3 |
| InChIKey | WMKLOPKWBZQHHF-UHFFFAOYSA-N |
| Mol Weight | 194.27 g/mol |
| Molecular Formula | C12H18O2 |
| Exact Mass | 194.13068 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Ig0NpfEoNzs |
|---|---|
| Name | 2-Phenoxyethanol, N-butyl ether |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.130679818 u |
| Formula | C12H18O2 |
| InChI | InChI=1S/C12H18O2/c1-2-3-9-13-10-11-14-12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3 |
| InChIKey | WMKLOPKWBZQHHF-UHFFFAOYSA-N |
| Molecular Weight | 194.274 g/mol |
| SMILES | C1(=CC=CC=C1)OCCOCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968872 |