| SpectraBase Compound ID | GyRVR9aSBRd |
|---|---|
| InChI | InChI=1S/C10H12O4/c1-3-4-9(12)14-10-7(2)13-6-5-8(10)11/h5-6H,3-4H2,1-2H3 |
| InChIKey | IBRABNUUJKNXOB-UHFFFAOYSA-N |
| Mol Weight | 196.2 g/mol |
| Molecular Formula | C10H12O4 |
| Exact Mass | 196.073559 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IWI9A2Plmgk |
|---|---|
| Name | Maltol butyrate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.073558862 u |
| Formula | C10H12O4 |
| InChI | InChI=1S/C10H12O4/c1-3-4-9(12)14-10-7(2)13-6-5-8(10)11/h5-6H,3-4H2,1-2H3 |
| InChIKey | IBRABNUUJKNXOB-UHFFFAOYSA-N |
| Molecular Weight | 196.202 g/mol |
| SMILES | C(CC(=O)OC1=C(C)OC=CC1=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.806616 |