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Benzo[1,3]dioxole-5-carboxylic acid, [2-(4-cyclohexylphenoxy)ethyl]amide
SpectraBase Compound ID 3JjfSzGuPZ6
InChI InChI=1S/C22H25NO4/c24-22(18-8-11-20-21(14-18)27-15-26-20)23-12-13-25-19-9-6-17(7-10-19)16-4-2-1-3-5-16/h6-11,14,16H,1-5,12-13,15H2,(H,23,24)
InChIKey NWGGMUKCEUORFH-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 IdBqPNm1Td4
Name Benzo[1,3]dioxole-5-carboxylic acid, [2-(4-cyclohexylphenoxy)ethyl]amide
Comments Computed using HOSE algorithm
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Exact Mass 367.178358285 u
Formula C22H25NO4
InChI InChI=1S/C22H25NO4/c24-22(18-8-11-20-21(14-18)27-15-26-20)23-12-13-25-19-9-6-17(7-10-19)16-4-2-1-3-5-16/h6-11,14,16H,1-5,12-13,15H2,(H,23,24)
InChIKey NWGGMUKCEUORFH-UHFFFAOYSA-N
Molecular Weight 367.445 g/mol
SMILES C1=C2C(=CC=C1C(NCCOC1=CC=C(C=C1)C1CCCCC1)=O)OCO2