| SpectraBase Compound ID | H4ux4MA6Rcg |
|---|---|
| InChI | InChI=1S/C16H31IO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(18)19-15-14-17/h2-15H2,1H3 |
| InChIKey | HTORKFYAKCXIKR-UHFFFAOYSA-N |
| Mol Weight | 382.33 g/mol |
| Molecular Formula | C16H31IO2 |
| Exact Mass | 382.136875 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7YOGmsZKFrp |
|---|---|
| Name | Tetradecanoic acid, 2-iodoethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 382.136875236 u |
| Formula | C16H31IO2 |
| InChI | InChI=1S/C16H31IO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(18)19-15-14-17/h2-15H2,1H3 |
| InChIKey | HTORKFYAKCXIKR-UHFFFAOYSA-N |
| Molecular Weight | 382.326 g/mol |
| SMILES | C(CCCCCCCCCCC(=O)OCCI)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.938611 |