| SpectraBase Compound ID | LZ1oX3BFLD5 |
|---|---|
| InChI | InChI=1S/C9H16O3/c1-4-7-12-8-5-6-9(10-2)11-3/h4-6,9H,1,7-8H2,2-3H3/b6-5+ |
| InChIKey | BIPWRQCSURHJCX-AATRIKPKSA-N |
| Mol Weight | 172.22 g/mol |
| Molecular Formula | C9H16O3 |
| Exact Mass | 172.109944 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GULa4bfJOsu |
|---|---|
| Name | 4-(Allyloxy)-1,1-dimethoxybut-2-ene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.109944372 u |
| Formula | C9H16O3 |
| InChI | InChI=1S/C9H16O3/c1-4-7-12-8-5-6-9(10-2)11-3/h4-6,9H,1,7-8H2,2-3H3/b6-5+ |
| InChIKey | BIPWRQCSURHJCX-AATRIKPKSA-N |
| Molecular Weight | 172.224 g/mol |
| SMILES | C(\C=C\C(OC)OC)OCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.94819 |