| SpectraBase Compound ID | A8FEA9gblmE |
|---|---|
| InChI | InChI=1S/C11H12O/c1-9-3-6-11(7-4-9)8-5-10(2)12/h3-8H,1-2H3/b8-5+/i2D3,5D |
| InChIKey | USXMUOFSQBSHGN-KNMGPDAJSA-N |
| Mol Weight | 164.24 g/mol |
| Molecular Formula | C11H8D4O |
| Exact Mass | 164.113922 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AfPST2Gp94h |
|---|---|
| Name | 1-(p-Methylphenyl)-2,4,4,4-tetradeutero-1-buten-3-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H8D4O |
| InChI | InChI=1S/C11H12O/c1-9-3-6-11(7-4-9)8-5-10(2)12/h3-8H,1-2H3/b8-5+/i2D3,5D |
| InChIKey | USXMUOFSQBSHGN-KNMGPDAJSA-N |
| Molecular Weight | 164.240 g/mol |
| SMILES | c1(\C=C\(C(=O)C([D])([D])[D])[D])ccc(cc1)C |
| SPLASH | splash10-014j-0900000000-36633d80dad66bd1ea0b |
| Source of Spectrum | 0-16-411-3 |
| Wiley ID | 1157268 |