| SpectraBase Compound ID | BDuFBDXwMRg |
|---|---|
| InChI | InChI=1S/C8H15I/c1-6-4-5-8(2,3)7(6)9/h6-7H,4-5H2,1-3H3/t6-,7+/m1/s1 |
| InChIKey | DEHARFISXSFFTL-RQJHMYQMSA-N |
| Mol Weight | 238.11 g/mol |
| Molecular Formula | C8H15I |
| Exact Mass | 238.021845 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8bNHwn6Qspu |
|---|---|
| Name | Trans-2-iodo-1,3,3-trimethylcyclopentane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.021845483 u |
| Formula | C8H15I |
| InChI | InChI=1S/C8H15I/c1-6-4-5-8(2,3)7(6)9/h6-7H,4-5H2,1-3H3/t6-,7+/m1/s1 |
| InChIKey | DEHARFISXSFFTL-RQJHMYQMSA-N |
| Molecular Weight | 238.112 g/mol |
| SMILES | C1([C@]([C@](C)(CC1)[H])(I)[H])(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.946466 |