| SpectraBase Compound ID | 7y85bePQbyP |
|---|---|
| InChI | InChI=1S/C8H14O3/c1-3-5-7-11-8(9)10-6-4-2/h3,5H,4,6-7H2,1-2H3/b5-3+ |
| InChIKey | BILVLOZGIFYROK-HWKANZROSA-N |
| Mol Weight | 158.2 g/mol |
| Molecular Formula | C8H14O3 |
| Exact Mass | 158.094294 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2UcXM1PtTyv |
|---|---|
| Name | (E)-but-2-en-1-yl Propyl carbonate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.094294308 u |
| Formula | C8H14O3 |
| InChI | InChI=1S/C8H14O3/c1-3-5-7-11-8(9)10-6-4-2/h3,5H,4,6-7H2,1-2H3/b5-3+ |
| InChIKey | BILVLOZGIFYROK-HWKANZROSA-N |
| Molecular Weight | 158.197 g/mol |
| SMILES | C\C=C\COC(OCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.960835 |