| SpectraBase Compound ID | 6PhJdtS4RG1 |
|---|---|
| InChI | InChI=1S/C9H18O2/c1-3-4-5-6-7-8-11-9(2)10/h3-8H2,1-2H3 |
| InChIKey | ZCZSIDMEHXZRLG-UHFFFAOYSA-N |
| Mol Weight | 158.24 g/mol |
| Molecular Formula | C9H18O2 |
| Exact Mass | 158.13068 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2oYY6R4JXZw |
|---|---|
| Name | Aceticacid heptyl ester |
| CAS Registry Number | 112-06-1 |
| Classification | Chemical |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass | 158.130679818 u |
| Formula | C9H18O2 |
| InChI | InChI=1S/C9H18O2/c1-3-4-5-6-7-8-11-9(2)10/h3-8H2,1-2H3 |
| InChIKey | ZCZSIDMEHXZRLG-UHFFFAOYSA-N |
| Ionization Type | Electron Ionization (EI) |
| Molecular Weight | 158.241 g/mol |
| Nominal Mass | 158 u |
| Quality | 992 |
| Retention Index | 1090 |
| SMILES | C(OCCCCCCC)(=O)C |
| SPLASH | splash10-0006-9000000000-547420a3d81d5fa6741b |
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Synonyms | Heptyl acetate |
| Technique | GC/MS |
| Wiley ID | DD2024_000037 |