| SpectraBase Compound ID | GgcVWzGYqF7 |
|---|---|
| InChI | InChI=1S/C8H14O/c1-4-7(2)5-8(3)6-9/h4,6,8H,5H2,1-3H3/b7-4+/t8-/m1/s1 |
| InChIKey | QIGOHFLKAFHWDZ-RXLGXGPVSA-N |
| Mol Weight | 126.2 g/mol |
| Molecular Formula | C8H14O |
| Exact Mass | 126.104465 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GzHOjVM26Lz |
|---|---|
| Name | (E,2R)-2,4-Dimethyl-4-hexenal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 126.104465070 u |
| Formula | C8H14O |
| InChI | InChI=1S/C8H14O/c1-4-7(2)5-8(3)6-9/h4,6,8H,5H2,1-3H3/b7-4+/t8-/m1/s1 |
| InChIKey | QIGOHFLKAFHWDZ-RXLGXGPVSA-N |
| Molecular Weight | 126.199 g/mol |
| SMILES | C\C=C\(C[C@](C=O)(C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.957191 |