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N-(1,3-Benzodioxol-5-ylmethyl)-4-quinazolinamine
SpectraBase Compound ID DdUKO2dQXEK
InChI InChI=1S/C16H13N3O2/c1-2-4-13-12(3-1)16(19-9-18-13)17-8-11-5-6-14-15(7-11)21-10-20-14/h1-7,9H,8,10H2,(H,17,18,19)
InChIKey MLVNLAHRZDXSAM-UHFFFAOYSA-N
Mol Weight 279.3 g/mol
Molecular Formula C16H13N3O2
Exact Mass 279.100777 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LeIvjbh9QZl
Name N-(1,3-Benzodioxol-5-ylmethyl)-4-quinazolinamine
Comments Computed using HOSE algorithm
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Exact Mass 279.100776669 u
Formula C16H13N3O2
InChI InChI=1S/C16H13N3O2/c1-2-4-13-12(3-1)16(19-9-18-13)17-8-11-5-6-14-15(7-11)21-10-20-14/h1-7,9H,8,10H2,(H,17,18,19)
InChIKey MLVNLAHRZDXSAM-UHFFFAOYSA-N
SMILES C1=NC=2C(C(=N1)NCC=1C=C3C(OCO3)=CC1)=CC=CC2