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2H-1,4-benzoxazine-4-acetamide, 3,4-dihydro-3-oxo-N-[4-(trifluoromethoxy)phenyl]-
SpectraBase Compound ID Ct3MkeMablC
InChI InChI=1S/C17H13F3N2O4/c18-17(19,20)26-12-7-5-11(6-8-12)21-15(23)9-22-13-3-1-2-4-14(13)25-10-16(22)24/h1-8H,9-10H2,(H,21,23)
InChIKey WMPCEVJERLTGIU-UHFFFAOYSA-N
Mol Weight 366.3 g/mol
Molecular Formula C17H13F3N2O4
Exact Mass 366.082741 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HnmeIuGsQo1
Name 2H-1,4-Benzoxazine-4-acetamide, 3,4-dihydro-3-oxo-N-[4-(trifluoromethoxy)phenyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 366.082741392 u
Formula C17H13F3N2O4
InChI InChI=1S/C17H13F3N2O4/c18-17(19,20)26-12-7-5-11(6-8-12)21-15(23)9-22-13-3-1-2-4-14(13)25-10-16(22)24/h1-8H,9-10H2,(H,21,23)
InChIKey WMPCEVJERLTGIU-UHFFFAOYSA-N
Molecular Weight 366.296 g/mol
SMILES N(C(CN1C(COC=2C1=CC=CC2)=O)=O)C=1C=CC(OC(F)(F)F)=CC1