![1-Pentene, 1-iodo-3,4,4-trimethyl-, [S-(E)]-](/api/spectrum/KC5FmcNzB8w/structure.png?h=300&w=458 "1-Pentene, 1-iodo-3,4,4-trimethyl-, [S-(E)]-")
| SpectraBase Compound ID | FYpGJJvbCNW |
|---|---|
| InChI | InChI=1S/C8H15I/c1-7(5-6-9)8(2,3)4/h5-7H,1-4H3/b6-5+ |
| InChIKey | CKOZUFAYOGCNHW-AATRIKPKSA-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 | KC5FmcNzB8w |
|---|---|
| Name | 1-Pentene, 1-iodo-3,4,4-trimethyl-, [S-(E)]- |
| 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/c1-7(5-6-9)8(2,3)4/h5-7H,1-4H3/b6-5+ |
| InChIKey | CKOZUFAYOGCNHW-AATRIKPKSA-N |
| Molecular Weight | 238.112 g/mol |
| SMILES | C(C(\C=C\I)C)(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.971323 |