| SpectraBase Compound ID | DIfplsppFC3 |
|---|---|
| InChI | InChI=1S/C9H16O2/c1-3-4-5-6-7-8-11-9(2)10/h5-6H,3-4,7-8H2,1-2H3/b6-5- |
| InChIKey | AAYIYWGTGAUKQY-WAYWQWQTSA-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 | IuYim08jB1b |
|---|---|
| Name | 3-Hepten-1-ol, 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/c1-3-4-5-6-7-8-11-9(2)10/h5-6H,3-4,7-8H2,1-2H3/b6-5- |
| InChIKey | AAYIYWGTGAUKQY-WAYWQWQTSA-N |
| Molecular Weight | 156.225 g/mol |
| SMILES | CCC\C=C/CCOC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.866986 |