| SpectraBase Compound ID | C1JMpqUtUOs |
|---|---|
| InChI | InChI=1S/C4H4O2/c5-4-2-1-3-6-4/h1,3H,2H2 |
| InChIKey | RHDGNLCLDBVESU-UHFFFAOYSA-N |
| Mol Weight | 84.07 g/mol |
| Molecular Formula | C4H4O2 |
| Exact Mass | 84.021129 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 17y8kJck5aU |
|---|---|
| Name | alpha-Angelicalactone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 84.021129367 u |
| Formula | C4H4O2 |
| InChI | InChI=1S/C4H4O2/c5-4-2-1-3-6-4/h1,3H,2H2 |
| InChIKey | RHDGNLCLDBVESU-UHFFFAOYSA-N |
| Molecular Weight | 84.074 g/mol |
| SMILES | C1(OC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.985445 |