| SpectraBase Compound ID | 5DQmeyW0zud |
|---|---|
| InChI | InChI=1S/C8H12O/c1-2-3-4-5-6-7-8-9/h8H,2-5H2,1H3 |
| InChIKey | DUUGWLGPIZCNLM-UHFFFAOYSA-N |
| Mol Weight | 124.18 g/mol |
| Molecular Formula | C8H12O |
| Exact Mass | 124.088815 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DqgQbdBdH22 |
|---|---|
| Name | oct-2-ynal |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H12O |
| InChI | InChI=1S/C8H12O/c1-2-3-4-5-6-7-8-9/h8H,2-5H2,1H3 |
| InChIKey | DUUGWLGPIZCNLM-UHFFFAOYSA-N |
| Instrument Name | GCMS |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/cctc.202002011 |
| Molecular Weight | 124.183 g/mol |
| SMILES | C(CCCC#CC=O)C |
| SPLASH | splash10-066v-9000000000-3159eedc64c1ce94f143 |
| Source of Spectrum | CCC-13-SM24-23 |
| Wiley ID | 1854340 |