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N-(Thiophen-2-ylmethyl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine

View entire compound with spectra: 1 NMR

N-(Thiophen-2-ylmethyl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
SpectraBase Compound ID HL9uAuUAAAM
InChI InChI=1S/C20H14F3N3S/c21-20(22,23)16-9-3-1-7-14(16)19-25-17-10-4-2-8-15(17)18(26-19)24-12-13-6-5-11-27-13/h1-11H,12H2,(H,24,25,26)
InChIKey QBDAEJRHUCSSPR-UHFFFAOYSA-N
Mol Weight 385.41 g/mol
Molecular Formula C20H14F3N3S
Exact Mass 385.086053 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JacCzkwNIpX
Name N-(Thiophen-2-ylmethyl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
Comments Computed using HOSE algorithm
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Exact Mass 385.086053126 u
Formula C20H14F3N3S
InChI InChI=1S/C20H14F3N3S/c21-20(22,23)16-9-3-1-7-14(16)19-25-17-10-4-2-8-15(17)18(26-19)24-12-13-6-5-11-27-13/h1-11H,12H2,(H,24,25,26)
InChIKey QBDAEJRHUCSSPR-UHFFFAOYSA-N
Molecular Weight 385.408 g/mol
SMILES C1(=NC=2C(C(=N1)NCC1=CC=CS1)=CC=CC2)C1=C(C=CC=C1)C(F)(F)F