| SpectraBase Compound ID | HTws7p3QDfy |
|---|---|
| InChI | InChI=1S/C11H20O3/c1-4-5-6-7-10(13-2)8-9-11(12)14-3/h8-10H,4-7H2,1-3H3/b9-8+ |
| InChIKey | IKDMACHUSXZWMN-CMDGGOBGSA-N |
| Mol Weight | 200.28 g/mol |
| Molecular Formula | C11H20O3 |
| Exact Mass | 200.141245 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | H08gOHLUMct |
|---|---|
| Name | (E)-4-Hydroxynon-2-enoic acid, di-o-methyl |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.141244501 u |
| Formula | C11H20O3 |
| InChI | InChI=1S/C11H20O3/c1-4-5-6-7-10(13-2)8-9-11(12)14-3/h8-10H,4-7H2,1-3H3/b9-8+ |
| InChIKey | IKDMACHUSXZWMN-CMDGGOBGSA-N |
| Molecular Weight | 200.278 g/mol |
| SMILES | COC(=O)\C=C\C(OC)CCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.809945 |