| SpectraBase Compound ID | Jw9icXzOwAr |
|---|---|
| InChI | InChI=1S/C7H12O3/c1-3-5-6-10-7(8)9-4-2/h3,5H,4,6H2,1-2H3/b5-3+ |
| InChIKey | MRBDGJQUEKDXFD-HWKANZROSA-N |
| Mol Weight | 144.17 g/mol |
| Molecular Formula | C7H12O3 |
| Exact Mass | 144.078644 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | K7wijjKpF8W |
|---|---|
| Name | (E)-but-2-Enyl ethyl carbonate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 144.078644243 u |
| Formula | C7H12O3 |
| InChI | InChI=1S/C7H12O3/c1-3-5-6-10-7(8)9-4-2/h3,5H,4,6H2,1-2H3/b5-3+ |
| InChIKey | MRBDGJQUEKDXFD-HWKANZROSA-N |
| SMILES | C(=O)(OCC)OC\C=C\C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.953644 |