| SpectraBase Compound ID | BDW0e6N39WZ |
|---|---|
| InChI | InChI=1S/C9H16O2/c1-3-5-6-7-8-11-9(10)4-2/h5-6H,3-4,7-8H2,1-2H3/b6-5- |
| InChIKey | LGTLDEUQCOJGFP-WAYWQWQTSA-N |
| Mol Weight | 156.22 g/mol |
| Molecular Formula | C9H16O2 |
| Exact Mass | 156.11503 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | EeeW4KbVUtp |
|---|---|
| Name | 3-Hexen-1-ol, propanoate, (Z)- |
| 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/c1-3-5-6-7-8-11-9(10)4-2/h5-6H,3-4,7-8H2,1-2H3/b6-5- |
| InChIKey | LGTLDEUQCOJGFP-WAYWQWQTSA-N |
| Molecular Weight | 156.225 g/mol |
| SMILES | C(OC(CC)=O)C\C=C/CC |
| Spectrum/Structure Validation Score (Raman) | 0.971914 |