| SpectraBase Compound ID | 4kiyW1qWk9O |
|---|---|
| InChI | InChI=1S/C15H23I/c1-4-7-12-10-13(8-5-2)15(16)14(11-12)9-6-3/h10-11H,4-9H2,1-3H3 |
| InChIKey | VJVRMGHTXIXTTF-UHFFFAOYSA-N |
| Mol Weight | 330.25 g/mol |
| Molecular Formula | C15H23I |
| Exact Mass | 330.084446 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IT4ygVzuSq8 |
|---|---|
| Name | Benzene, 2-iodo-1,3,5-tripropyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.084445741 u |
| Formula | C15H23I |
| InChI | InChI=1S/C15H23I/c1-4-7-12-10-13(8-5-2)15(16)14(11-12)9-6-3/h10-11H,4-9H2,1-3H3 |
| InChIKey | VJVRMGHTXIXTTF-UHFFFAOYSA-N |
| Molecular Weight | 330.253 g/mol |
| SMILES | C=1(C(=CC(=CC1CCC)CCC)CCC)I |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.979066 |