SpectraBase Compound ID | KHWbM3H8gb0 |
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InChI | InChI=1S/C6H10O/c1-5-2-3-6(7)4-5/h5H,2-4H2,1H3/i3D2,4D2 |
InChIKey | AOKRXIIIYJGNNU-KHORGVISSA-N |
Mol Weight | 102.17 g/mol |
Molecular Formula | C6H6D4O |
Exact Mass | 102.098272 g/mol |
SpectraBase Spectrum ID | EtoFBhTGoja |
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Name | 3-Methylcyclopentanone-2,2,5,5-D4 |
CAS Registry Number | 32454-46-9 |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C6H6D4O |
InChI | InChI=1S/C6H10O/c1-5-2-3-6(7)4-5/h5H,2-4H2,1H3/i3D2,4D2 |
InChIKey | AOKRXIIIYJGNNU-KHORGVISSA-N |
Molecular Weight | 102.169 g/mol |
SMILES | C1(=O)C(C(C)CC1([D])[D])([D])[D] |
SPLASH | splash10-0a4l-9100000000-5ad530755f0597cae498 |
Source of Spectrum | A-1-715-1 |
Wiley ID | 1118890 |