| SpectraBase Compound ID | 5zX3JUcaqKt |
|---|---|
| InChI | InChI=1S/C10H20O2/c1-4-6-7-9(3)8-10(11)12-5-2/h9H,4-8H2,1-3H3 |
| InChIKey | OTNDYEHGLRZQIN-UHFFFAOYSA-N |
| Mol Weight | 172.27 g/mol |
| Molecular Formula | C10H20O2 |
| Exact Mass | 172.14633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 9Pqr0Q71xC1 |
|---|---|
| Name | Heptanoic acid, 3-methyl-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.146329882 u |
| Formula | C10H20O2 |
| InChI | InChI=1S/C10H20O2/c1-4-6-7-9(3)8-10(11)12-5-2/h9H,4-8H2,1-3H3 |
| InChIKey | OTNDYEHGLRZQIN-UHFFFAOYSA-N |
| Molecular Weight | 172.268 g/mol |
| SMILES | CCCCC(CC(OCC)=O)C |