| SpectraBase Compound ID | 6fTKQ9Y067W |
|---|---|
| InChI | InChI=1S/C9H16O2/c1-4-6-7-9(5-2)11-8(3)10/h5,9H,2,4,6-7H2,1,3H3 |
| InChIKey | SIOVHXRHPCJGFJ-UHFFFAOYSA-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 | HyRAzoSy2d |
|---|---|
| Name | 1-Hepten-3-ol, acetate; 1-hepten-3-yl acetate |
| 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/c1-4-6-7-9(5-2)11-8(3)10/h5,9H,2,4,6-7H2,1,3H3 |
| InChIKey | SIOVHXRHPCJGFJ-UHFFFAOYSA-N |
| Molecular Weight | 156.225 g/mol |
| SMILES | CCCCC(C=C)OC(C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.863744 |