| SpectraBase Compound ID | 9Djp0zB4rJM |
|---|---|
| InChI | InChI=1S/C10H20O2/c1-3-5-6-7-8-10(11)12-9-4-2/h3-9H2,1-2H3 |
| InChIKey | UWZVPQKWYFZLLW-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 | JGCEw5FqQCI |
|---|---|
| Name | Heptanoic acid, propyl ester |
| 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/c1-3-5-6-7-8-10(11)12-9-4-2/h3-9H2,1-2H3 |
| InChIKey | UWZVPQKWYFZLLW-UHFFFAOYSA-N |
| Molecular Weight | 172.268 g/mol |
| SMILES | CCCCCCC(=O)OCCC |
| Spectrum/Structure Validation Score (Raman) | 0.983045 |