| SpectraBase Compound ID | 41gCUIn3sGi |
|---|---|
| InChI | InChI=1S/C11H12O/c1-9-5-3-4-6-11(9)8-7-10(2)12/h3-8H,1-2H3/b8-7+/i2D3,7D |
| InChIKey | WPSNJCPNIUVDHW-JSUWMYCJSA-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 | BSELecxPt9F |
|---|---|
| Name | 1-(o-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/c1-9-5-3-4-6-11(9)8-7-10(2)12/h3-8H,1-2H3/b8-7+/i2D3,7D |
| InChIKey | WPSNJCPNIUVDHW-JSUWMYCJSA-N |
| Molecular Weight | 164.240 g/mol |
| SMILES | C(\C(=C\c1c(C)cccc1)[D])(=O)C([D])([D])[D] |
| SPLASH | splash10-014j-0900000000-161a6b93449c641d1bfa |
| Source of Spectrum | 0-16-411-3 |
| Wiley ID | 1157266 |