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Pregn-4-ene-3,20-dione-19,19,19-d3
SpectraBase Compound ID G7wOJGx2ePf
InChI InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1/i2D3
InChIKey RJKFOVLPORLFTN-ROHGSYQNSA-N
Mol Weight 317.49 g/mol
Molecular Formula C21H272D3O2
Exact Mass 317.24341 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ISo8csNmKv
Name Pregn-4-ene-3,20-dione-19,19,19-d3
CAS Registry Number 132385-63-8
Comments Less than 3 mono-isotopic peaks
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Formula C21H27D3O2
InChI InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1/i2D3
InChIKey RJKFOVLPORLFTN-ROHGSYQNSA-N
Molecular Weight 317.487 g/mol
SMILES [C@@]12([C@]([C@@]3(CCC=4[C@@]([C@]3(CC2)[H])(CCC(=O)C4)C([2D])([2D])[2D])[H])(CC[C@@]1(C(=O)C)[H])[H])C
SPLASH splash10-014i-0009000000-3928c56df0928ea474b1
Source of Spectrum KC-1990-2747-4
Synonyms [19-(2)H(3)]pregn-4-ene-3,20-dione
Wiley ID 1315621