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2,6-Dinitro-alpha,alpha,alpha-trifluoro-p-tolyl p-methoxyphenyl ether
SpectraBase Compound ID 1Z15VC0AffH
InChI InChI=1S/C14H9F3N2O6/c1-24-9-2-4-10(5-3-9)25-13-11(18(20)21)6-8(14(15,16)17)7-12(13)19(22)23/h2-7H,1H3
InChIKey DHVFDFLDWXJVLF-UHFFFAOYSA-N
Mol Weight 358.23 g/mol
Molecular Formula C14H9F3N2O6
Exact Mass 358.041271 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H6K6z7xbALY
Name 2,6-Dinitro-alpha,alpha,alpha-trifluoro-p-tolyl p-methoxyphenyl ether
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 358.041270501 u
Formula C14H9F3N2O6
InChI InChI=1S/C14H9F3N2O6/c1-24-9-2-4-10(5-3-9)25-13-11(18(20)21)6-8(14(15,16)17)7-12(13)19(22)23/h2-7H,1H3
InChIKey DHVFDFLDWXJVLF-UHFFFAOYSA-N
Molecular Weight 358.229 g/mol
SMILES N(=O)(=O)C1=C(C(=CC(=C1)C(F)(F)F)N(=O)=O)OC=1C=CC(=CC1)OC