| SpectraBase Compound ID | B1rygd2kx7U |
|---|---|
| InChI | InChI=1S/C8H16O/c1-3-4-5-6-7-8(2)9/h3-7H2,1-2H3/i2D3,7D2 |
| InChIKey | ZPVFWPFBNIEHGJ-RCIWAKOPSA-N |
| Mol Weight | 133.25 g/mol |
| Molecular Formula | C8H11D5O |
| Exact Mass | 133.151499 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6hc7O6ovxMw |
|---|---|
| Name | 1,1,1,3,3-Pentadeuterio-2-octanone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H11D5O |
| InChI | InChI=1S/C8H16O/c1-3-4-5-6-7-8(2)9/h3-7H2,1-2H3/i2D3,7D2 |
| InChIKey | ZPVFWPFBNIEHGJ-RCIWAKOPSA-N |
| Molecular Weight | 133.246 g/mol |
| SMILES | C(C(C(CCCCC)([D])[D])=O)([D])([D])[D] |
| SPLASH | splash10-01ot-9000000000-d9d40fd9727cc2b71961 |
| Source of Spectrum | F9-1985-829-17 |
| Synonyms | 1,1,1,3,3-Pentadeuteriooctan-2-one |
| Wiley ID | 1565551 |