| SpectraBase Compound ID | 2tiFytDQdcb |
|---|---|
| InChI | InChI=1S/C11H10O4/c1-7(12)10(13)8-3-5-9(6-4-8)11(14)15-2/h3-6H,1-2H3 |
| InChIKey | HXCDTGHLBQAYQT-UHFFFAOYSA-N |
| Mol Weight | 206.2 g/mol |
| Molecular Formula | C11H10O4 |
| Exact Mass | 206.057909 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GOTCpILYo2B |
|---|---|
| Name | Mppp-m (carboxy-deamino-oxo-) me P416 |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.057908798 u |
| Formula | C11H10O4 |
| InChI | InChI=1S/C11H10O4/c1-7(12)10(13)8-3-5-9(6-4-8)11(14)15-2/h3-6H,1-2H3 |
| InChIKey | HXCDTGHLBQAYQT-UHFFFAOYSA-N |
| Molecular Weight | 206.197 g/mol |
| SMILES | C=1C=C(C=CC1C(OC)=O)C(=O)C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.952608 |