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5-Methyl-N-[2-nitro-4-(trifluoromethyl)phenyl]-2-phenyl-1,3-dioxan-5-amine
SpectraBase Compound ID BOoRjxl8AYI
InChI InChI=1S/C18H17F3N2O4/c1-17(10-26-16(27-11-17)12-5-3-2-4-6-12)22-14-8-7-13(18(19,20)21)9-15(14)23(24)25/h2-9,16,22H,10-11H2,1H3
InChIKey AJINOLUGATWNQO-UHFFFAOYSA-N
Mol Weight 382.34 g/mol
Molecular Formula C18H17F3N2O4
Exact Mass 382.114042 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3B8ntQ4TLbx
Name 5-Methyl-N-[2-nitro-4-(trifluoromethyl)phenyl]-2-phenyl-1,3-dioxan-5-amine
Alternate Name(s) (5-methyl-2-phenyl-1,3-dioxan-5-yl)-[2-nitro-4-(trifluoromethyl)phenyl]amine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17F3N2O4
InChI InChI=1S/C18H17F3N2O4/c1-17(10-26-16(27-11-17)12-5-3-2-4-6-12)22-14-8-7-13(18(19,20)21)9-15(14)23(24)25/h2-9,16,22H,10-11H2,1H3
InChIKey AJINOLUGATWNQO-UHFFFAOYSA-N
Molecular Weight 382.339 g/mol
SMILES N(c1c(N(=O)=O)cc(C(F)(F)F)cc1)C1(COC(OC1)c1ccccc1)C
SPLASH splash10-00di-2931000000-47f7af1afac218bf0d07
Wiley ID 1452299