| SpectraBase Compound ID | MGVSlVxXOG |
|---|---|
| InChI | InChI=1S/C10H20O2/c1-3-5-6-7-8-9-12-10(11)4-2/h3-9H2,1-2H3 |
| InChIKey | BGYICJVBGZQOCY-UHFFFAOYSA-N |
| Mol Weight | 172.27 g/mol |
| Molecular Formula | C10H20O2 |
| Exact Mass | 172.14633 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8H5zpifSKgK |
|---|---|
| Name | Heptylpropionate |
| Classification | Chemical |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass | 172.146329882 u |
| Formula | C10H20O2 |
| InChI | InChI=1S/C10H20O2/c1-3-5-6-7-8-9-12-10(11)4-2/h3-9H2,1-2H3 |
| InChIKey | BGYICJVBGZQOCY-UHFFFAOYSA-N |
| Ionization Type | Electron Ionization (EI) |
| Molecular Weight | 172.268 g/mol |
| Nominal Mass | 172 u |
| Quality | 1000 |
| Retention Index | 1190 |
| SMILES | C(OCCCCCCC)(CC)=O |
| SPLASH | splash10-0a4i-9000000000-f8a5a61f9a76765ff7f0 |
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Synonyms | heptyl propanoate |
| Technique | GC/MS |
| Wiley ID | DD2024_025756 |