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3-{[(2-Hydroxyethyl)(methyl)amino]-(4-nitrophenyl)methyl}-4-methyl-2-trifluoromethylmorpholin-2-ol
SpectraBase Compound ID 5fXx9gqkswr
InChI InChI=1S/C16H22F3N3O5/c1-20(7-9-23)13(11-3-5-12(6-4-11)22(25)26)14-15(24,16(17,18)19)27-10-8-21(14)2/h3-6,13-14,23-24H,7-10H2,1-2H3
InChIKey QPTBAOMJLRUNMK-UHFFFAOYSA-N
Mol Weight 393.36 g/mol
Molecular Formula C16H22F3N3O5
Exact Mass 393.151155 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4BcRQdu2lsu
Name 3-{[(2-Hydroxyethyl)(methyl)amino]-(4-nitrophenyl)methyl}-4-methyl-2-trifluoromethylmorpholin-2-ol
Appearance Orange solid
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Exact Mass 393.151155304 u
Formula C16H22F3N3O5
InChI InChI=1S/C16H22F3N3O5/c1-20(7-9-23)13(11-3-5-12(6-4-11)22(25)26)14-15(24,16(17,18)19)27-10-8-21(14)2/h3-6,13-14,23-24H,7-10H2,1-2H3
InChIKey QPTBAOMJLRUNMK-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP5050A
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800659
Molecular Weight 393.363 g/mol
Quality 197
SMILES OCCN(C(C1N(CCOC1(C(F)(F)F)O)C)C=1C=CC(=CC1)[N+]([O-])=O)C
SPLASH splash10-052u-9310000000-3ca492de81d79481ef39
Source of Spectrum K1-2018-4208-3g (DOI: 10.1002/ejoc.201800659)
Wiley ID 1894211