| SpectraBase Compound ID | 25vA6xFOLTS |
|---|---|
| InChI | InChI=1S/C13H15IO/c1-13(2,3)10-15-12-6-4-11(5-7-12)8-9-14/h4-7H,10H2,1-3H3 |
| InChIKey | MXROFHDFRMWQFE-UHFFFAOYSA-N |
| Mol Weight | 314.17 g/mol |
| Molecular Formula | C13H15IO |
| Exact Mass | 314.01676 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4OiUZoFdDgL |
|---|---|
| Name | 1-Iodo-2-(p-neopentoxyphenyl)acetylene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.016760102 u |
| Formula | C13H15IO |
| InChI | InChI=1S/C13H15IO/c1-13(2,3)10-15-12-6-4-11(5-7-12)8-9-14/h4-7H,10H2,1-3H3 |
| InChIKey | MXROFHDFRMWQFE-UHFFFAOYSA-N |
| Molecular Weight | 314.166 g/mol |
| SMILES | C(#CC=1C=CC(OCC(C)(C)C)=CC1)I |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.908711 |