| SpectraBase Compound ID | BTrNNSFXIR3 |
|---|---|
| InChI | InChI=1S/C8H16O/c1-3-5-7-8(9)6-4-2/h3-7H2,1-2H3/i6D2,7D2 |
| InChIKey | YWXLSHOWXZUMSR-KXGHAPEVSA-N |
| Mol Weight | 132.24 g/mol |
| Molecular Formula | C8H12D4O |
| Exact Mass | 132.145222 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 74iPLgnqIA2 |
|---|---|
| Name | 4-Octanone-3,3,5,5-D4 |
| CAS Registry Number | 10258-85-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H12D4O |
| InChI | InChI=1S/C8H16O/c1-3-5-7-8(9)6-4-2/h3-7H2,1-2H3/i6D2,7D2 |
| InChIKey | YWXLSHOWXZUMSR-KXGHAPEVSA-N |
| Molecular Weight | 132.239 g/mol |
| SMILES | C(=O)(C(CC)([D])[D])C(CCC)([D])[D] |
| SPLASH | splash10-022i-9000000000-4209a6ad8062e898a6db |
| Source of Spectrum | O-19-521-12 |
| Synonyms | 3-D2-5-D2-4-Octanone |
| Wiley ID | 1131815 |