| SpectraBase Compound ID | Kj6tzZ6K97Y |
|---|---|
| InChI | InChI=1S/C8H14O3/c1-3-11-8(10)6-4-5-7(2)9/h4,6-7,9H,3,5H2,1-2H3/b6-4+ |
| InChIKey | ZVXVRZZECWGGIC-GQCTYLIASA-N |
| Mol Weight | 158.2 g/mol |
| Molecular Formula | C8H14O3 |
| Exact Mass | 158.094294 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 9jf5CkKnZIV |
|---|---|
| Name | Ethyl 5-hydroxyhex-2-enoate |
| 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/c1-3-11-8(10)6-4-5-7(2)9/h4,6-7,9H,3,5H2,1-2H3/b6-4+ |
| InChIKey | ZVXVRZZECWGGIC-GQCTYLIASA-N |
| Molecular Weight | 158.197 g/mol |
| SMILES | C(\C=C\CC(C)O)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.85977 |