| SpectraBase Compound ID | 6gVapu3hhIC |
|---|---|
| InChI | InChI=1S/C12H17IO/c1-12(2,3)9-14-8-10-5-4-6-11(13)7-10/h4-7H,8-9H2,1-3H3 |
| InChIKey | FYNBFPMURGCMCT-UHFFFAOYSA-N |
| Mol Weight | 304.17 g/mol |
| Molecular Formula | C12H17IO |
| Exact Mass | 304.03241 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FkfyqcHigxW |
|---|---|
| Name | (3-Iodophenyl) methanol, neopentyl ether |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.032410166 u |
| Formula | C12H17IO |
| InChI | InChI=1S/C12H17IO/c1-12(2,3)9-14-8-10-5-4-6-11(13)7-10/h4-7H,8-9H2,1-3H3 |
| InChIKey | FYNBFPMURGCMCT-UHFFFAOYSA-N |
| Molecular Weight | 304.171 g/mol |
| SMILES | C1(=CC(=CC=C1)I)COCC(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.954699 |