| SpectraBase Compound ID | DigCzglm7GQ |
|---|---|
| InChI | InChI=1S/C10H8O3/c1-6-5-9(12)13-10-7(6)3-2-4-8(10)11/h2-5,11H,1H3 |
| InChIKey | YTUZKZFGUFCWHJ-UHFFFAOYSA-N |
| Mol Weight | 176.17 g/mol |
| Molecular Formula | C10H8O3 |
| Exact Mass | 176.047344 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EP6xt7k3GyY |
|---|---|
| Name | 4-Methyl-8-oxidanyl-chromen-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.047344115 u |
| Formula | C10H8O3 |
| InChI | InChI=1S/C10H8O3/c1-6-5-9(12)13-10-7(6)3-2-4-8(10)11/h2-5,11H,1H3 |
| InChIKey | YTUZKZFGUFCWHJ-UHFFFAOYSA-N |
| Molecular Weight | 176.171 g/mol |
| SMILES | C=12OC(=O)C=C(C2=CC=CC1O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.932843 |