| SpectraBase Compound ID | 52hKgny0fte |
|---|---|
| InChI | InChI=1S/C9H15IO2/c1-9(2,3)12-8(11)6-4-5-7-10/h5,7H,4,6H2,1-3H3/b7-5- |
| InChIKey | NLMCUVZGMGZUKD-ALCCZGGFSA-N |
| Mol Weight | 282.12 g/mol |
| Molecular Formula | C9H15IO2 |
| Exact Mass | 282.011675 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4zz7kycHZW2 |
|---|---|
| Name | Tert-butyl (Z)-5-iodo-4-pentenoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.011674721 u |
| Formula | C9H15IO2 |
| InChI | InChI=1S/C9H15IO2/c1-9(2,3)12-8(11)6-4-5-7-10/h5,7H,4,6H2,1-3H3/b7-5- |
| InChIKey | NLMCUVZGMGZUKD-ALCCZGGFSA-N |
| Molecular Weight | 282.121 g/mol |
| SMILES | C(OC(C)(C)C)(=O)CC\C=C/I |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.980161 |