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3-[2,6-dinitro-4-(trifluoromethyl)anilino]-1-propanol
SpectraBase Compound ID 3TAOvZmX0mW
InChI InChI=1S/C10H10F3N3O5/c11-10(12,13)6-4-7(15(18)19)9(14-2-1-3-17)8(5-6)16(20)21/h4-5,14,17H,1-3H2
InChIKey JVVBEXCBMOLVAQ-UHFFFAOYSA-N
Mol Weight 309.2 g/mol
Molecular Formula C10H10F3N3O5
Exact Mass 309.057255 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 17m5zbZrcfN
Name 3-[2,6-dinitro-4-(trifluoromethyl)anilino]-1-propanol
Alternate Name(s) 3-[2,6-dinitro-4-(trifluoromethyl)anilino]propan-1-ol 3-[[2,6-dinitro-4-(trifluoromethyl)phenyl]amino]propan-1-ol
CAS Registry Number 62421-58-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H10F3N3O5
InChI InChI=1S/C10H10F3N3O5/c11-10(12,13)6-4-7(15(18)19)9(14-2-1-3-17)8(5-6)16(20)21/h4-5,14,17H,1-3H2
InChIKey JVVBEXCBMOLVAQ-UHFFFAOYSA-N
Molecular Weight 309.201 g/mol
SMILES N(c1c(N(=O)=O)cc(C(F)(F)F)cc1N(=O)=O)CCCO
SPLASH splash10-03k9-3960000000-d58cd02e6593b53d211d
Source of Spectrum KO-6-4-28
Wiley ID 1310436