| SpectraBase Compound ID | 8eSpznfbaRz |
|---|---|
| InChI | InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3/i1D3 |
| InChIKey | YRKCREAYFQTBPV-FIBGUPNXSA-N |
| Mol Weight | 103.14 g/mol |
| Molecular Formula | C5H5D3O2 |
| Exact Mass | 103.07126 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AlA0K5acnC1 |
|---|---|
| Name | 2,4-Pentanedione-1,1,1-D3 |
| CAS Registry Number | 119476-69-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C5H5D3O2 |
| InChI | InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3/i1D3 |
| InChIKey | YRKCREAYFQTBPV-FIBGUPNXSA-N |
| Molecular Weight | 103.135 g/mol |
| SMILES | C(C(=O)C([D])([D])[D])C(=O)C |
| SPLASH | splash10-0007-9000000000-e92eba239973f6ae5f0d |
| Source of Spectrum | KC-1988-2217-0 |
| Synonyms | [1,1,1-(2)H(3)]Pentane-2,4-dione |
| Wiley ID | 1119486 |