| SpectraBase Compound ID | 9d9xzMTOPQz |
|---|---|
| InChI | InChI=1S/C5H10INO2/c1-5(2,3-4-6)7(8)9/h3-4H2,1-2H3 |
| InChIKey | CEVPRPTWNRCDEM-UHFFFAOYSA-N |
| Mol Weight | 243.04 g/mol |
| Molecular Formula | C5H10INO2 |
| Exact Mass | 242.975624 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7gbLKrnjyWJ |
|---|---|
| Name | 1-Iodo-3-methyl-3-nitro-butane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.975623564 u |
| Formula | C5H10INO2 |
| InChI | InChI=1S/C5H10INO2/c1-5(2,3-4-6)7(8)9/h3-4H2,1-2H3 |
| InChIKey | CEVPRPTWNRCDEM-UHFFFAOYSA-N |
| Molecular Weight | 243.044 g/mol |
| SMILES | CC(N(=O)=O)(C)CCI |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.874944 |