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Cyclohexyl 4-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)benzoate

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Cyclohexyl 4-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)benzoate
SpectraBase Compound ID 4W0SYbDYoUt
InChI InChI=1S/C22H25NO4/c24-20-18-14-6-7-15(12-14)19(18)21(25)23(20)16-10-8-13(9-11-16)22(26)27-17-4-2-1-3-5-17/h8-11,14-15,17-19H,1-7,12H2
InChIKey VWHFQKYNWMUPLL-UHFFFAOYSA-N
Mol Weight 367.45 g/mol
Molecular Formula C22H25NO4
Exact Mass 367.178358 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FVHL7H3muh5
Name Cyclohexyl 4-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)benzoate
Comments Computed using HOSE algorithm
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Exact Mass 367.178358285 u
Formula C22H25NO4
InChI InChI=1S/C22H25NO4/c24-20-18-14-6-7-15(12-14)19(18)21(25)23(20)16-10-8-13(9-11-16)22(26)27-17-4-2-1-3-5-17/h8-11,14-15,17-19H,1-7,12H2
InChIKey VWHFQKYNWMUPLL-UHFFFAOYSA-N
Molecular Weight 367.445 g/mol
SMILES C12C3CCC(C2C(N(C1=O)C1=CC=C(C=C1)C(OC1CCCCC1)=O)=O)C3