| SpectraBase Compound ID | JMqLMkC0OGK |
|---|---|
| InChI | InChI=1S/C10H10INO/c1-7(13)12-5-4-8-6-9(11)2-3-10(8)12/h2-3,6H,4-5H2,1H3 |
| InChIKey | ATPPCQXBZHNKFO-UHFFFAOYSA-N |
| Mol Weight | 287.1 g/mol |
| Molecular Formula | C10H10INO |
| Exact Mass | 286.980709 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 5TehbxNUXqJ |
|---|---|
| Name | 1-Acetyl-5-iodoindoline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.980708945 u |
| Formula | C10H10INO |
| InChI | InChI=1S/C10H10INO/c1-7(13)12-5-4-8-6-9(11)2-3-10(8)12/h2-3,6H,4-5H2,1H3 |
| InChIKey | ATPPCQXBZHNKFO-UHFFFAOYSA-N |
| Molecular Weight | 287.100 g/mol |
| SMILES | C=12C=C(C=CC1N(CC2)C(C)=O)I |
| Spectrum/Structure Validation Score (Raman) | 0.94538 |