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2H-1,4-Benzoxazine-4-acetamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-3,4-dihydro-3-oxo-
SpectraBase Compound ID 6qLQq1pG8xm
InChI InChI=1S/C17H12ClF3N2O3/c18-11-6-5-10(17(19,20)21)7-12(11)22-15(24)8-23-13-3-1-2-4-14(13)26-9-16(23)25/h1-7H,8-9H2,(H,22,24)
InChIKey PPDRXJMJSMSCDZ-UHFFFAOYSA-N
Mol Weight 384.74 g/mol
Molecular Formula C17H12ClF3N2O3
Exact Mass 384.048854 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9h39kK2jk8g
Name 2H-1,4-Benzoxazine-4-acetamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-3,4-dihydro-3-oxo-
Comments Computed using HOSE algorithm
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Exact Mass 384.048854440 u
Formula C17H12ClF3N2O3
InChI InChI=1S/C17H12ClF3N2O3/c18-11-6-5-10(17(19,20)21)7-12(11)22-15(24)8-23-13-3-1-2-4-14(13)26-9-16(23)25/h1-7H,8-9H2,(H,22,24)
InChIKey PPDRXJMJSMSCDZ-UHFFFAOYSA-N
Molecular Weight 384.742 g/mol
SMILES C1=CC=C2N(C(COC2=C1)=O)CC(NC1=C(C=CC(C(F)(F)F)=C1)Cl)=O