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7-(3-CHLOROPROPOXY)-6-METHOXY-4-(4-TRIFLUOROMETHOXYANILINO)-1,2,3-BENZOTRIAZINE

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7-(3-CHLOROPROPOXY)-6-METHOXY-4-(4-TRIFLUOROMETHOXYANILINO)-1,2,3-BENZOTRIAZINE
SpectraBase Compound ID LD9vjQMyGhy
InChI InChI=1S/2C18H16ClF3N4O3/c2*1-27-15-9-13-14(10-16(15)28-8-2-7-19)24-26-25-17(13)23-11-3-5-12(6-4-11)29-18(20,21)22/h2*3-6,9-10H,2,7-8H2,1H3,(H,23,24,25)
InChIKey DCOUUZMBXJYKKB-UHFFFAOYSA-N
Mol Weight 857.6 g/mol
Molecular Formula C36H32Cl2F6N8O6
Exact Mass 856.172605 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3S6Z3OLiFNH
Name 7-(3-CHLOROPROPOXY)-6-METHOXY-4-(4-TRIFLUOROMETHOXYANILINO)-1,2,3-BENZOTRIAZINE
Compound Number 8O
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H32Cl2F6N8O6
InChI InChI=1S/2C18H16ClF3N4O3/c2*1-27-15-9-13-14(10-16(15)28-8-2-7-19)24-26-25-17(13)23-11-3-5-12(6-4-11)29-18(20,21)22/h2*3-6,9-10H,2,7-8H2,1H3,(H,23,24,25)
InChIKey DCOUUZMBXJYKKB-UHFFFAOYSA-N
Literature Reference Author J.L.LV,R.WANG,D.LIU,G.GUO,Y.K.JING,L.X.ZHAO
Literature Reference Citation MOLECULES,13,1427(2008)
Literature Reference DOI 10.3390/molecules13061427
Molecular Weight 857.596 g/mol
Sample ID 56745
Solvent DMSO-D6