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(-)-[2H11]Adaline

View entire compound with spectra: 1 MS (GC)

(-)-[2H11]Adaline
SpectraBase Compound ID 73vs9E9dCiK
InChI InChI=1S/C13H23NO/c1-2-3-4-7-13-8-5-6-11(14-13)9-12(15)10-13/h11,14H,2-10H2,1H3/t11-,13-/m1/s1/i1D3,2D2,3D2,4D2,7D2
InChIKey KHMVXSQLPUNRCF-DQINLETNSA-N
Mol Weight 220.4 g/mol
Molecular Formula C13H122D11NO
Exact Mass 220.247009 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J0BWey4FoOG
Name (-)-[2H11]Adaline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12D11NO
InChI InChI=1S/C13H23NO/c1-2-3-4-7-13-8-5-6-11(14-13)9-12(15)10-13/h11,14H,2-10H2,1H3/t11-,13-/m1/s1/i1D3,2D2,3D2,4D2,7D2
InChIKey KHMVXSQLPUNRCF-DQINLETNSA-N
Molecular Weight 220.400 g/mol
SMILES N1[C@]2(CC(C[C@]1(CCC2)C(C(C(C(C([2D])([2D])[2D])([2D])[2D])([2D])[2D])([2D])[2D])([2D])[2D])=O)[H]
SPLASH splash10-0c29-0910000000-1a3a2070e56dd1914e12
Source of Spectrum KC-57-3410-15
Wiley ID 1623803