| SpectraBase Compound ID | ARGrZZ8TtPN |
|---|---|
| InChI | InChI=1S/C11H12INO/c12-10-6-11(14)13(8-10)7-9-4-2-1-3-5-9/h1-5,10H,6-8H2 |
| InChIKey | HGHXDNFFDLXKJJ-UHFFFAOYSA-N |
| Mol Weight | 301.13 g/mol |
| Molecular Formula | C11H12INO |
| Exact Mass | 300.996359 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AWw2XwBGJXH |
|---|---|
| Name | 1-Benzyl-4-iodo-2-pyrrolidinone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.996359009 u |
| Formula | C11H12INO |
| InChI | InChI=1S/C11H12INO/c12-10-6-11(14)13(8-10)7-9-4-2-1-3-5-9/h1-5,10H,6-8H2 |
| InChIKey | HGHXDNFFDLXKJJ-UHFFFAOYSA-N |
| Molecular Weight | 301.127 g/mol |
| SMILES | C1(=O)CC(I)CN1CC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.956799 |