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(8S,9R)-2-Amino[8.9-2H2]octadecane-1,3-diol

View entire compound with spectra: 1 MS (GC)

(8S,9R)-2-Amino[8.9-2H2]octadecane-1,3-diol
SpectraBase Compound ID 44mrZpgNdCE
InChI InChI=1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17-18,20-21H,2-16,19H2,1H3/t17-,18+/m0/s1/i10D,11D/t10-,11-,17+,18-/m1
InChIKey OTKJDMGTUTTYMP-NITAKLSQSA-N
Mol Weight 303.5 g/mol
Molecular Formula C18H37D2NO2
Exact Mass 303.310633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID q3IBfknyTC
Name (8S,9R)-2-Amino[8.9-2H2]octadecane-1,3-diol
Alternate Name(s) (2S,3R,8S,9R)-2-Amino[8,9-2H2]octadecane-1,3-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H37D2NO2
InChI InChI=1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17-18,20-21H,2-16,19H2,1H3/t17-,18+/m0/s1/i10D,11D/t10-,11-,17+,18-/m1
InChIKey OTKJDMGTUTTYMP-NITAKLSQSA-N
Molecular Weight 303.527 g/mol
SMILES O[C@@]([C@](CO)(N)[H])(CCCC[C@@]([C@]([D])(CCCCCCCCC)[H])([D])[H])[H]
SPLASH splash10-00di-2091000000-c3769270904e0a90fe51
Source of Spectrum SO-0-2148-10
Wiley ID 877165