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3'-Keto-(2H3)-R(-)-hexobarbital

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3'-Keto-(2H3)-R(-)-hexobarbital
SpectraBase Compound ID 8OlLleSJ4Zw
InChI InChI=1S/C12H14N2O4/c1-12(7-4-3-5-8(15)6-7)9(16)13-11(18)14(2)10(12)17/h6H,3-5H2,1-2H3,(H,13,16,18)/t12-/m1/s1/i1D3
InChIKey JLDHHLBFGIBRGN-LBBMYNEISA-N
Mol Weight 253.27 g/mol
Molecular Formula C12H11D3N2O4
Exact Mass 253.114187 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D401HBl0M4l
Name 3'-Keto-(2H3)-R(-)-hexobarbital
CAS Registry Number 427-30-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11D3N2O4
InChI InChI=1S/C12H14N2O4/c1-12(7-4-3-5-8(15)6-7)9(16)13-11(18)14(2)10(12)17/h6H,3-5H2,1-2H3,(H,13,16,18)/t12-/m1/s1/i1D3
InChIKey JLDHHLBFGIBRGN-LBBMYNEISA-N
Molecular Weight 253.272 g/mol
SMILES N1C([C@](C(N(C1=O)C)=O)(C1=CC(=O)CCC1)C([D])([D])[D])=O
SPLASH splash10-0uds-3190000000-b6b3320ae450a7bcb848
Source of Spectrum KO-12-467-3b
Wiley ID 1252985