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(1S,2R)-1-phenyl-2-[2,2,3,3-tetradeuterio-4-[(1R,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl]piperazin-1-yl]propan-1-ol
SpectraBase Compound ID BNTnacpKMw0
InChI InChI=1S/C22H30N2O2/c1-17(21(25)19-9-5-3-6-10-19)23-13-15-24(16-14-23)18(2)22(26)20-11-7-4-8-12-20/h3-12,17-18,21-22,25-26H,13-16H2,1-2H3/t17-,18-,21-,22-/m1/s1/i13D2,15D2
InChIKey PUGCLOVEAQVDJD-BGKGCWFUSA-N
Mol Weight 358.52 g/mol
Molecular Formula C22H26D4N2O2
Exact Mass 358.255835 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FAqkwV73S32
Name (1S,2R)-1-phenyl-2-[2,2,3,3-tetradeuterio-4-[(1R,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl]piperazin-1-yl]propan-1-ol
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Formula C22H26D4N2O2
InChI InChI=1S/C22H30N2O2/c1-17(21(25)19-9-5-3-6-10-19)23-13-15-24(16-14-23)18(2)22(26)20-11-7-4-8-12-20/h3-12,17-18,21-22,25-26H,13-16H2,1-2H3/t17-,18-,21-,22-/m1/s1/i13D2,15D2
InChIKey PUGCLOVEAQVDJD-BGKGCWFUSA-N
Molecular Weight 358.518 g/mol
SMILES O[C@]([C@](N1C(C(N([C@@]([C@](c2ccccc2)(O)[H])(C)[H])CC1)([D])[D])([D])[D])(C)[H])(c1ccccc1)[H]
SPLASH splash10-0udi-7390000000-aea7712851f109a69fcb
Source of Spectrum SO-0-237-7
Synonyms (1S,2R)-1-phenyl-2-[2,2,3,3-tetradeuterio-4-[(1R,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl]piperazino]propan-1-ol (1S,2R)-1-phenyl-2-[2,2,3,3-tetradeuterio-4-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-1-piperazinyl]-1-propanol (1S,2R)-1-phenyl-2-[2,2,3,3-tetradeuterio-4-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]piperazin-1-yl]propan-1-ol (1S,2R)-1-phenyl-2-[2,2,3,3-tetradeuterio-4-[(1S,2R)-1-oxidanyl-1-phenyl-propan-2-yl]piperazin-1-yl]propan-1-ol
Wiley ID 864152