| SpectraBase Compound ID | 4QfdHtstLl0 |
|---|---|
| InChI | InChI=1S/C7H8O/c1-4-7(8)5-6(2)3/h1,5H,2-3H3/i1D |
| InChIKey | MZYGNQKBISSLSL-MICDWDOJSA-N |
| Mol Weight | 109.15 g/mol |
| Molecular Formula | C7H7DO |
| Exact Mass | 109.063792 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8AQgxCisgJZ |
|---|---|
| Name | 4-Hexen-1-yn-3-one-1-d, 5-methyl- |
| CAS Registry Number | 105365-02-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H7DO |
| InChI | InChI=1S/C7H8O/c1-4-7(8)5-6(2)3/h1,5H,2-3H3/i1D |
| InChIKey | MZYGNQKBISSLSL-MICDWDOJSA-N |
| Molecular Weight | 109.146 g/mol |
| SMILES | C(#C[D])C(C=C(C)C)=O |
| SPLASH | splash10-0006-9000000000-b2e23d579bb2d83c45a3 |
| Source of Spectrum | H-69-577-36 |
| Synonyms | 5-Methyl(1-deuterio)hex-4-en-1-yn-3-one |
| Wiley ID | 1121880 |