| SpectraBase Compound ID | 9LyMugsU0ir |
|---|---|
| InChI | InChI=1S/C11H12O3/c1-11(2,3)7-4-5-8-9(6-7)14-10(12)13-8/h4-6H,1-3H3 |
| InChIKey | KLQJKXDFHGURBO-UHFFFAOYSA-N |
| Mol Weight | 192.21 g/mol |
| Molecular Formula | C11H12O3 |
| Exact Mass | 192.078644 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KkEkvejg4Ld |
|---|---|
| Name | 1,3-Benzodioxol-2-one, 5-(1,1-dimethylethyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.078644243 u |
| Formula | C11H12O3 |
| InChI | InChI=1S/C11H12O3/c1-11(2,3)7-4-5-8-9(6-7)14-10(12)13-8/h4-6H,1-3H3 |
| InChIKey | KLQJKXDFHGURBO-UHFFFAOYSA-N |
| Molecular Weight | 192.214 g/mol |
| SMILES | C1=C(C(C)(C)C)C=C2C(=C1)OC(O2)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.941142 |