| SpectraBase Compound ID | BB6WrkGS1yt |
|---|---|
| InChI | InChI=1S/C8H12O3/c1-8(4-2-3-5-9)10-6-7-11-8/h2-3,5H,4,6-7H2,1H3/b3-2+ |
| InChIKey | BPKYMJPHQUGBSD-NSCUHMNNSA-N |
| Mol Weight | 156.18 g/mol |
| Molecular Formula | C8H12O3 |
| Exact Mass | 156.078644 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1EAaER5Pnim |
|---|---|
| Name | 2-Methyl-1,3-dioxolane-2-crotonaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 156.078644243 u |
| Formula | C8H12O3 |
| InChI | InChI=1S/C8H12O3/c1-8(4-2-3-5-9)10-6-7-11-8/h2-3,5H,4,6-7H2,1H3/b3-2+ |
| InChIKey | BPKYMJPHQUGBSD-NSCUHMNNSA-N |
| Molecular Weight | 156.181 g/mol |
| SMILES | C1OC(OC1)(C)C\C=C\C=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.993933 |