| SpectraBase Compound ID | KnGZ03AwuiY |
|---|---|
| InChI | InChI=1S/C12H25IO/c1-6-8-10(13)11(9-7-2)14-12(3,4)5/h10-11H,6-9H2,1-5H3 |
| InChIKey | AFFGCAYPUDSCJT-UHFFFAOYSA-N |
| Mol Weight | 312.24 g/mol |
| Molecular Formula | C12H25IO |
| Exact Mass | 312.09501 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | KZPjd2jaMbn |
|---|---|
| Name | Erythro-4-tert-butoxy-5-iodooctane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.095010424 u |
| Formula | C12H25IO |
| InChI | InChI=1S/C12H25IO/c1-6-8-10(13)11(9-7-2)14-12(3,4)5/h10-11H,6-9H2,1-5H3 |
| InChIKey | AFFGCAYPUDSCJT-UHFFFAOYSA-N |
| Molecular Weight | 312.235 g/mol |
| SMILES | C(OC(C)(C)C)(C(I)CCC)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.811662 |