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1,1-Dideutero-3-[2-(1-deutero-4-hydroxybutylamino)phenyl]propanol
SpectraBase Compound ID 6whm7Kw5mOC
InChI InChI=1S/C13H21NO2/c15-10-4-3-9-14-13-8-2-1-6-12(13)7-5-11-16/h1-2,6,8,14-16H,3-5,7,9-11H2/i9D,11D2
InChIKey PDKRJSHHDGXWTO-QHWHNHRWSA-N
Mol Weight 226.33 g/mol
Molecular Formula C13H18D3NO2
Exact Mass 226.176059 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ASDotf3Gfhu
Name 1,1-Dideutero-3-[2-(1-deutero-4-hydroxybutylamino)phenyl]propanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18D3NO2
InChI InChI=1S/C13H21NO2/c15-10-4-3-9-14-13-8-2-1-6-12(13)7-5-11-16/h1-2,6,8,14-16H,3-5,7,9-11H2/i9D,11D2
InChIKey PDKRJSHHDGXWTO-QHWHNHRWSA-N
Molecular Weight 226.334 g/mol
SMILES OC(CCc1c(cccc1)NC(CCCO)[D])([D])[D]
SPLASH splash10-014m-3910000000-1d2144e2ee8e2312e2d9
Source of Spectrum J-65-4209-12
Wiley ID 1532455