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1,2,3,4-Tetrahydro-6-methyl-5-nitro-2,4-bis(2'-(trifluoromethyl)phenyl]pyrimidine
SpectraBase Compound ID 3BdCBAsW3gn
InChI InChI=1S/C19H15F6N3O2/c1-10-16(28(29)30)15(11-6-2-4-8-13(11)18(20,21)22)27-17(26-10)12-7-3-5-9-14(12)19(23,24)25/h2-9,15,17,26-27H,1H3
InChIKey BQEYKADKNKADEM-UHFFFAOYSA-N
Mol Weight 431.34 g/mol
Molecular Formula C19H15F6N3O2
Exact Mass 431.106846 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6YobV13pHfE
Name 1,2,3,4-Tetrahydro-6-methyl-5-nitro-2,4-bis(2'-(trifluoromethyl)phenyl]pyrimidine
Alternate Name(s) 6-methyl-5-nitro-2,4-bis[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H15F6N3O2
InChI InChI=1S/C19H15F6N3O2/c1-10-16(28(29)30)15(11-6-2-4-8-13(11)18(20,21)22)27-17(26-10)12-7-3-5-9-14(12)19(23,24)25/h2-9,15,17,26-27H,1H3
InChIKey BQEYKADKNKADEM-UHFFFAOYSA-N
Molecular Weight 431.338 g/mol
SMILES N1C(NC(=C(C1c1c(C(F)(F)F)cccc1)N(=O)=O)C)c1c(C(F)(F)F)cccc1
SPLASH splash10-0a4i-0090000000-efbea1e995332f4bcff8
Source of Spectrum D8-324-795-16
Wiley ID 1514142