| SpectraBase Compound ID | 2FLOIQ3NMGF |
|---|---|
| InChI | InChI=1S/C10H11NO2/c1-8(4-3-5-12)6-10-7-13-9(2)11-10/h3-7H,1-2H3/b4-3+,8-6+ |
| InChIKey | MLMZCBBXAMXYDA-PBOULFJWSA-N |
| Mol Weight | 177.2 g/mol |
| Molecular Formula | C10H11NO2 |
| Exact Mass | 177.078979 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1jTuzQOr3zc |
|---|---|
| Name | (2E,4E)-4-Methyl-5-(2-methyl-1,3-oxazol-4-yl)penta-2,4-dienal |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 177.078978596 u |
| Formula | C10H11NO2 |
| InChI | InChI=1S/C10H11NO2/c1-8(4-3-5-12)6-10-7-13-9(2)11-10/h3-7H,1-2H3/b4-3+,8-6+ |
| InChIKey | MLMZCBBXAMXYDA-PBOULFJWSA-N |
| Molecular Weight | 177.203 g/mol |
| SMILES | C=1(N=C(OC1)C)\C=C\(\C=C\C=O)C |