| SpectraBase Compound ID | I5RcOF8kTmq |
|---|---|
| InChI | InChI=1S/C6H13IO/c1-5(7)4-6(2)8-3/h5-6H,4H2,1-3H3/t5-,6+/m0/s1 |
| InChIKey | FJRDIEQWGXPALI-NTSWFWBYSA-N |
| Mol Weight | 228.07 g/mol |
| Molecular Formula | C6H13IO |
| Exact Mass | 228.00111 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7EJ612ji8L |
|---|---|
| Name | (2S,4R)-2-Iodo-4-methoxypentane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.001110038 u |
| Formula | C6H13IO |
| InChI | InChI=1S/C6H13IO/c1-5(7)4-6(2)8-3/h5-6H,4H2,1-3H3/t5-,6+/m0/s1 |
| InChIKey | FJRDIEQWGXPALI-NTSWFWBYSA-N |
| Molecular Weight | 228.073 g/mol |
| SMILES | [C@@](OC)(C[C@](C)(I)[H])(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.928141 |