| SpectraBase Compound ID | 1RGKrGN5S5M |
|---|---|
| InChI | InChI=1S/C7H11IO2/c1-3-7(4-5-8)10-6(2)9/h3,7H,1,4-5H2,2H3 |
| InChIKey | CSBGGNIIEJOHJB-UHFFFAOYSA-N |
| Mol Weight | 254.07 g/mol |
| Molecular Formula | C7H11IO2 |
| Exact Mass | 253.980375 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | E8SiW2q46i9 |
|---|---|
| Name | 1-Penten-3-ol, 5-iodo-, acetate, (.+-.)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 253.980374592 u |
| Formula | C7H11IO2 |
| InChI | InChI=1S/C7H11IO2/c1-3-7(4-5-8)10-6(2)9/h3,7H,1,4-5H2,2H3 |
| InChIKey | CSBGGNIIEJOHJB-UHFFFAOYSA-N |
| Molecular Weight | 254.067 g/mol |
| SMILES | C(OC(C=C)CCI)(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.938107 |