| SpectraBase Compound ID | FwaeCFJeYL |
|---|---|
| InChI | InChI=1S/C9H16O2/c1-4-6-9(5-2)7-11-8(3)10/h5,9H,2,4,6-7H2,1,3H3 |
| InChIKey | VVCBBDBVMTXQID-UHFFFAOYSA-N |
| Mol Weight | 156.22 g/mol |
| Molecular Formula | C9H16O2 |
| Exact Mass | 156.11503 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EofpXRIWBbq |
|---|---|
| Name | 1-Acetoxy-2-N-propyl-3-butene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 156.115029753 u |
| Formula | C9H16O2 |
| InChI | InChI=1S/C9H16O2/c1-4-6-9(5-2)7-11-8(3)10/h5,9H,2,4,6-7H2,1,3H3 |
| InChIKey | VVCBBDBVMTXQID-UHFFFAOYSA-N |
| Molecular Weight | 156.225 g/mol |
| SMILES | C(C(C=C)CCC)OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.966392 |