| SpectraBase Compound ID | DFxUR2jOSuT |
|---|---|
| InChI | InChI=1S/C10H11IO/c11-8-4-7-10(12)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2 |
| InChIKey | QCNSLBGKXIACGC-UHFFFAOYSA-N |
| Mol Weight | 274.1 g/mol |
| Molecular Formula | C10H11IO |
| Exact Mass | 273.98546 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BQKU0e2Hjz2 |
|---|---|
| Name | 4-Iodanyl-1-phenyl-butan-1-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 273.985459973 u |
| Formula | C10H11IO |
| InChI | InChI=1S/C10H11IO/c11-8-4-7-10(12)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2 |
| InChIKey | QCNSLBGKXIACGC-UHFFFAOYSA-N |
| Molecular Weight | 274.101 g/mol |
| SMILES | C(=O)(C1=CC=CC=C1)CCCI |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.936106 |