| SpectraBase Compound ID | 42HM7bJgKB9 |
|---|---|
| InChI | InChI=1S/C6H10O/c1-2-3-4-5-6-7/h2-3,6H,4-5H2,1H3/b3-2+ |
| InChIKey | DPCMFIRORYQTCL-NSCUHMNNSA-N |
| Mol Weight | 98.14 g/mol |
| Molecular Formula | C6H10O |
| Exact Mass | 98.073165 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Jno7t5AR6z4 |
|---|---|
| Name | 4-Hexenal, (E)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 98.073164941 u |
| Formula | C6H10O |
| InChI | InChI=1S/C6H10O/c1-2-3-4-5-6-7/h2-3,6H,4-5H2,1H3/b3-2+ |
| InChIKey | DPCMFIRORYQTCL-NSCUHMNNSA-N |
| Molecular Weight | 98.145 g/mol |
| SMILES | C(\C=C\C)CC=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.948876 |