| SpectraBase Compound ID | IkJQ7mFSyjL |
|---|---|
| InChI | InChI=1S/C8H12O3/c1-3-4-7(8(10)11)5-6(2)9/h3,7H,1,4-5H2,2H3,(H,10,11) |
| InChIKey | MCYVLUUDBAGBKD-UHFFFAOYSA-N |
| Mol Weight | 156.18 g/mol |
| Molecular Formula | C8H12O3 |
| Exact Mass | 156.078644 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9WrPTlZH352 |
|---|---|
| Name | 4-Pentenoic acid, 2-(2-oxopropyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 156.078644243 u |
| Formula | C8H12O3 |
| InChI | InChI=1S/C8H12O3/c1-3-4-7(8(10)11)5-6(2)9/h3,7H,1,4-5H2,2H3,(H,10,11) |
| InChIKey | MCYVLUUDBAGBKD-UHFFFAOYSA-N |
| Molecular Weight | 156.181 g/mol |
| SMILES | C(CC(C(O)=O)CC(=O)C)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.938102 |