| SpectraBase Compound ID | FderhUmcauo |
|---|---|
| InChI | InChI=1S/C9H8INO4/c10-5-6-15-9(12)7-1-3-8(4-2-7)11(13)14/h1-4H,5-6H2 |
| InChIKey | GFIIFVBQCFTLSC-UHFFFAOYSA-N |
| Mol Weight | 321.07 g/mol |
| Molecular Formula | C9H8INO4 |
| Exact Mass | 320.949803 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DtlFd2BjlV5 |
|---|---|
| Name | 2-Iodoethyl 4-nitrobenzoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.949802738 u |
| Formula | C9H8INO4 |
| InChI | InChI=1S/C9H8INO4/c10-5-6-15-9(12)7-1-3-8(4-2-7)11(13)14/h1-4H,5-6H2 |
| InChIKey | GFIIFVBQCFTLSC-UHFFFAOYSA-N |
| Molecular Weight | 321.070 g/mol |
| SMILES | C=1C=C(C=CC1[N+](=O)[O-])C(=O)OCCI |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.980791 |