| SpectraBase Compound ID | 75VSYLZCave |
|---|---|
| InChI | InChI=1S/C9H16O2/c1-4-5-9(10)11-7-6-8(2)3/h4-5,8H,6-7H2,1-3H3/b5-4- |
| InChIKey | JAVOYFHBJFLMRQ-PLNGDYQASA-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 | LaDoOATX8EO |
|---|---|
| Name | Isopentyl-(Z)-but-2-enoate |
| 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/c1-4-5-9(10)11-7-6-8(2)3/h4-5,8H,6-7H2,1-3H3/b5-4- |
| InChIKey | JAVOYFHBJFLMRQ-PLNGDYQASA-N |
| Molecular Weight | 156.225 g/mol |
| SMILES | CC(C)CCOC(=O)\C=C/C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.989227 |