| SpectraBase Compound ID | 8uSbTWkDARq |
|---|---|
| InChI | InChI=1S/C12H16O3/c1-13-11-4-2-10(3-5-11)8-14-7-6-12-9-15-12/h2-5,12H,6-9H2,1H3 |
| InChIKey | ZOTQIPMMMCLNGW-UHFFFAOYSA-N |
| Mol Weight | 208.26 g/mol |
| Molecular Formula | C12H16O3 |
| Exact Mass | 208.109944 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2dxmvT9a7fm |
|---|---|
| Name | 1-p-Methoxybenzyloxy-3,4-epoxybutane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.109944372 u |
| Formula | C12H16O3 |
| InChI | InChI=1S/C12H16O3/c1-13-11-4-2-10(3-5-11)8-14-7-6-12-9-15-12/h2-5,12H,6-9H2,1H3 |
| InChIKey | ZOTQIPMMMCLNGW-UHFFFAOYSA-N |
| Molecular Weight | 208.257 g/mol |
| SMILES | C1(OC1)CCOCC=1C=CC(=CC1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.962052 |