| SpectraBase Compound ID | KTmG0VDvGIH |
|---|---|
| InChI | InChI=1S/C6H9F/c1-2-3-4-5-6-7/h2,5-6H,1,3-4H2/b6-5+ |
| InChIKey | JUTGTNAZNJUXLB-AATRIKPKSA-N |
| Mol Weight | 100.14 g/mol |
| Molecular Formula | C6H9F |
| Exact Mass | 100.068828 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8ghwyQmphvy |
|---|---|
| Name | 1,5-Hexadiene, 1-fluoro-, (E)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 100.068828453 u |
| Formula | C6H9F |
| InChI | InChI=1S/C6H9F/c1-2-3-4-5-6-7/h2,5-6H,1,3-4H2/b6-5+ |
| InChIKey | JUTGTNAZNJUXLB-AATRIKPKSA-N |
| Molecular Weight | 100.136 g/mol |
| SMILES | C(\C=C\F)CC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.909168 |