| SpectraBase Compound ID | JjMsIculi3P |
|---|---|
| InChI | InChI=1S/C11H8O3/c1-6-9(11(13)14)7-4-2-3-5-8(7)10(6)12/h2-5H,1H3,(H,13,14) |
| InChIKey | XBANVUGFZQRTJE-UHFFFAOYSA-N |
| Mol Weight | 188.18 g/mol |
| Molecular Formula | C11H8O3 |
| Exact Mass | 188.047344 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EM7W4eZ2vAy |
|---|---|
| Name | 2-Methylinden-3-one carboxylic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.047344115 u |
| Formula | C11H8O3 |
| InChI | InChI=1S/C11H8O3/c1-6-9(11(13)14)7-4-2-3-5-8(7)10(6)12/h2-5H,1H3,(H,13,14) |
| InChIKey | XBANVUGFZQRTJE-UHFFFAOYSA-N |
| Molecular Weight | 188.182 g/mol |
| SMILES | C1=CC=CC2=C1C(=O)C(=C2C(=O)O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.96494 |