| SpectraBase Compound ID | 74JKEJdV6SZ |
|---|---|
| InChI | InChI=1S/C10H12O3/c1-3-4-5-12-9-6-8(2)13-10(11)7-9/h3-4,6-7H,5H2,1-2H3/b4-3+ |
| InChIKey | HPZNTZZKYKFTBK-ONEGZZNKSA-N |
| Mol Weight | 180.2 g/mol |
| Molecular Formula | C10H12O3 |
| Exact Mass | 180.078644 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Dd7XHg159Na |
|---|---|
| Name | 4-(2-Buten-1-yloxy)-6-methyl-2-pyrone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.078644243 u |
| Formula | C10H12O3 |
| InChI | InChI=1S/C10H12O3/c1-3-4-5-12-9-6-8(2)13-10(11)7-9/h3-4,6-7H,5H2,1-2H3/b4-3+ |
| InChIKey | HPZNTZZKYKFTBK-ONEGZZNKSA-N |
| Molecular Weight | 180.203 g/mol |
| SMILES | C=1C(OC(=CC1OC\C=C\C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.858225 |