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(N,N'-dicyclohexylcarbamimidoyl) 2-oxidanylidene-6-(trifluoromethyloxy)chromene-3-carboxylate
SpectraBase Compound ID Ip3L4DTX9WY
InChI InChI=1S/C24H27F3N2O5/c25-24(26,27)34-18-11-12-20-15(13-18)14-19(21(30)32-20)22(31)33-23(28-16-7-3-1-4-8-16)29-17-9-5-2-6-10-17/h11-14,16-17H,1-10H2,(H,28,29)
InChIKey AXAMLLVDDMJFEH-UHFFFAOYSA-N
Mol Weight 480.48 g/mol
Molecular Formula C24H27F3N2O5
Exact Mass 480.187206 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5SlMYYeVbLH
Name (N,N'-Dicyclohexylcarbamimidoyl) 2-oxidanylidene-6-(trifluoromethyloxy)chromene-3-carboxylate
Comments Computed using HOSE algorithm
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Exact Mass 480.187206461 u
Formula C24H27F3N2O5
InChI InChI=1S/C24H27F3N2O5/c25-24(26,27)34-18-11-12-20-15(13-18)14-19(21(30)32-20)22(31)33-23(28-16-7-3-1-4-8-16)29-17-9-5-2-6-10-17/h11-14,16-17H,1-10H2,(H,28,29)
InChIKey AXAMLLVDDMJFEH-UHFFFAOYSA-N
Molecular Weight 480.484 g/mol
SMILES C=1(C(OC2=C(C1)C=C(OC(F)(F)F)C=C2)=O)C(O\C(=N/C1CCCCC1)NC1CCCCC1)=O