| SpectraBase Compound ID | 4NYKpRdXhdg |
|---|---|
| InChI | InChI=1S/C9H14O2/c1-4-5-6-11-8-9(2,3)7-10/h4-7H,1,8H2,2-3H3/b6-5+ |
| InChIKey | NTCHFWITQMOJER-AATRIKPKSA-N |
| Mol Weight | 154.21 g/mol |
| Molecular Formula | C9H14O2 |
| Exact Mass | 154.09938 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | C9XaxEnn4Q8 |
|---|---|
| Name | (5E)-2,2-Dimethyl-4-oxaocta-5,7-dienal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 154.099379689 u |
| Formula | C9H14O2 |
| InChI | InChI=1S/C9H14O2/c1-4-5-6-11-8-9(2,3)7-10/h4-7H,1,8H2,2-3H3/b6-5+ |
| InChIKey | NTCHFWITQMOJER-AATRIKPKSA-N |
| Molecular Weight | 154.209 g/mol |
| SMILES | C(C=O)(CO\C=C\C=C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.82779 |