| SpectraBase Compound ID | DmuGJvYUSO9 |
|---|---|
| InChI | InChI=1S/C6H10O2/c1-6(2)3-4-8-5-7/h3,5H,4H2,1-2H3 |
| InChIKey | ZCROFVOAWLRGFY-UHFFFAOYSA-N |
| Mol Weight | 114.14 g/mol |
| Molecular Formula | C6H10O2 |
| Exact Mass | 114.06808 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | s89NI1Vz1Y |
|---|---|
| Name | 2-Buten-1-ol, 3-methyl-, formate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 114.068079560 u |
| Formula | C6H10O2 |
| InChI | InChI=1S/C6H10O2/c1-6(2)3-4-8-5-7/h3,5H,4H2,1-2H3 |
| InChIKey | ZCROFVOAWLRGFY-UHFFFAOYSA-N |
| Molecular Weight | 114.144 g/mol |
| SMILES | C(OCC=C(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.908707 |