| SpectraBase Compound ID | KLCvGlc9XqV |
|---|---|
| InChI | InChI=1S/C11H12O5/c1-3-16-11(15)9-6(2)4-8(13)7(5-12)10(9)14/h4-5,13-14H,3H2,1-2H3 |
| InChIKey | HUXJGSHUVDWZAM-UHFFFAOYSA-N |
| Mol Weight | 224.21 g/mol |
| Molecular Formula | C11H12O5 |
| Exact Mass | 224.068473 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FOCFU2BoM7j |
|---|---|
| Name | Ethyl hematommate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.068473481 u |
| Formula | C11H12O5 |
| InChI | InChI=1S/C11H12O5/c1-3-16-11(15)9-6(2)4-8(13)7(5-12)10(9)14/h4-5,13-14H,3H2,1-2H3 |
| InChIKey | HUXJGSHUVDWZAM-UHFFFAOYSA-N |
| Molecular Weight | 224.212 g/mol |
| SMILES | C(C1=C(C(=C(C=C1C)O)C=O)O)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.861165 |