| SpectraBase Compound ID | 16uaDZ5w4wt |
|---|---|
| InChI | InChI=1S/C8H16O/c1-3-5-6-8(4-2)7-9/h5-6,8-9H,3-4,7H2,1-2H3/b6-5+ |
| InChIKey | WNQFVERFIHFVJG-AATRIKPKSA-N |
| Mol Weight | 128.21 g/mol |
| Molecular Formula | C8H16O |
| Exact Mass | 128.120115 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8QK61p8GMVT |
|---|---|
| Name | 3-Hexen-1-ol, 2-ethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 128.120115134 u |
| Formula | C8H16O |
| InChI | InChI=1S/C8H16O/c1-3-5-6-8(4-2)7-9/h5-6,8-9H,3-4,7H2,1-2H3/b6-5+ |
| InChIKey | WNQFVERFIHFVJG-AATRIKPKSA-N |
| Molecular Weight | 128.215 g/mol |
| SMILES | C(\C=C\CC)(CC)CO |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.970295 |