| SpectraBase Compound ID | 9D0P5litguK |
|---|---|
| InChI | InChI=1S/C8H3IN2/c9-8-2-1-6(4-10)7(3-8)5-11/h1-3H |
| InChIKey | OOHQHYJZUSXMFD-UHFFFAOYSA-N |
| Mol Weight | 254.03 g/mol |
| Molecular Formula | C8H3IN2 |
| Exact Mass | 253.934093 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 57BHBFNF9KU |
|---|---|
| Name | 4-Iodophthalonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 253.934093105 u |
| Formula | C8H3IN2 |
| InChI | InChI=1S/C8H3IN2/c9-8-2-1-6(4-10)7(3-8)5-11/h1-3H |
| InChIKey | OOHQHYJZUSXMFD-UHFFFAOYSA-N |
| Molecular Weight | 254.030 g/mol |
| SMILES | C(#N)C=1C(=CC=C(C1)I)C#N |
| Spectrum/Structure Validation Score (Raman) | 0.944592 |