| SpectraBase Compound ID | 4kVhWYvBSQ9 |
|---|---|
| InChI | InChI=1S/C14H21I/c1-13(2,3)10-7-11(14(4,5)6)9-12(15)8-10/h7-9H,1-6H3 |
| InChIKey | WHNJNYKUXPHIOO-UHFFFAOYSA-N |
| Mol Weight | 316.23 g/mol |
| Molecular Formula | C14H21I |
| Exact Mass | 316.068796 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | J5hMNcTMF1m |
|---|---|
| Name | 1,3-Ditert-butyl-5-iodanyl-benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.068795676 u |
| Formula | C14H21I |
| InChI | InChI=1S/C14H21I/c1-13(2,3)10-7-11(14(4,5)6)9-12(15)8-10/h7-9H,1-6H3 |
| InChIKey | WHNJNYKUXPHIOO-UHFFFAOYSA-N |
| Molecular Weight | 316.226 g/mol |
| SMILES | C=1(C=C(C=C(C1)I)C(C)(C)C)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.953107 |