| SpectraBase Compound ID | 7e46EL4L5VT |
|---|---|
| InChI | InChI=1S/C13H19I/c1-3-4-5-6-7-12-9-8-11(2)10-13(12)14/h8-10H,3-7H2,1-2H3 |
| InChIKey | KIOVXCUBAMMHBX-UHFFFAOYSA-N |
| Mol Weight | 302.2 g/mol |
| Molecular Formula | C13H19I |
| Exact Mass | 302.053146 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Eud2q2t2F1u |
|---|---|
| Name | 1-Hexyl-2-iodo-4-methylbenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.053145612 u |
| Formula | C13H19I |
| InChI | InChI=1S/C13H19I/c1-3-4-5-6-7-12-9-8-11(2)10-13(12)14/h8-10H,3-7H2,1-2H3 |
| InChIKey | KIOVXCUBAMMHBX-UHFFFAOYSA-N |
| Molecular Weight | 302.199 g/mol |
| SMILES | C=1(C)C=C(I)C(CCCCCC)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.891268 |