![[2,7-2H2]tropone](/api/spectrum/J0HTp5jIMot/structure.png?h=300&w=458 "[2,7-2H2]tropone")
| SpectraBase Compound ID | 4V27AjegL4U |
|---|---|
| InChI | InChI=1S/C7H6O/c8-7-5-3-1-2-4-6-7/h1-6H/i5D,6D |
| InChIKey | QVWDCTQRORVHHT-KCZCTXNHSA-N |
| Mol Weight | 108.14 g/mol |
| Molecular Formula | C7H4D2O |
| Exact Mass | 108.054418 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | J0HTp5jIMot |
|---|---|
| Name | [2,7-2H2]tropone |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H4D2O |
| InChI | InChI=1S/C7H6O/c8-7-5-3-1-2-4-6-7/h1-6H/i5D,6D |
| InChIKey | QVWDCTQRORVHHT-KCZCTXNHSA-N |
| Molecular Weight | 108.136 g/mol |
| SMILES | C1(C(=CC=CC=C1[D])[D])=O |
| SPLASH | splash10-053r-9600000000-1c07e46453f1000a4050 |
| Source of Spectrum | K-2001-2209-1 |
| Synonyms | 2,7-dideuterio-1-cyclohepta-2,4,6-trienone |
| Wiley ID | 1580510 |