| SpectraBase Compound ID | 9JyR2A4juy1 |
|---|---|
| InChI | InChI=1S/C11H12O3/c1-8(12)10(11(13)14-2)9-6-4-3-5-7-9/h3-7,10,12H,1H2,2H3 |
| InChIKey | TZLFLNVBMQGTHR-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 | 4O7rzoLkYeY |
|---|---|
| Name | Mapa |
| 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/c1-8(12)10(11(13)14-2)9-6-4-3-5-7-9/h3-7,10,12H,1H2,2H3 |
| InChIKey | TZLFLNVBMQGTHR-UHFFFAOYSA-N |
| Molecular Weight | 192.214 g/mol |
| SMILES | C=1(C(C(OC)=O)C(O)=C)C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.868416 |