| SpectraBase Compound ID | DkgLXoxhpTI |
|---|---|
| InChI | InChI=1S/C10H20O2/c1-4-6-7-8-9(3)12-10(11)5-2/h9H,4-8H2,1-3H3 |
| InChIKey | OUAGWRLMJCTMST-UHFFFAOYSA-N |
| Mol Weight | 172.27 g/mol |
| Molecular Formula | C10H20O2 |
| Exact Mass | 172.14633 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | FzTdiGZgEXt |
|---|---|
| Name | 2-Heptanol, propionate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.146329882 u |
| Formula | C10H20O2 |
| InChI | InChI=1S/C10H20O2/c1-4-6-7-8-9(3)12-10(11)5-2/h9H,4-8H2,1-3H3 |
| InChIKey | OUAGWRLMJCTMST-UHFFFAOYSA-N |
| Molecular Weight | 172.268 g/mol |
| SMILES | CC(OC(CC)=O)CCCCC |
| Spectrum/Structure Validation Score (Raman) | 0.98801 |