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Benzo[1,3]dioxole-5-carboxylic acid, [2-(2-benzylphenoxy)ethyl]amide
SpectraBase Compound ID I37P81iFoOV
InChI InChI=1S/C23H21NO4/c25-23(19-10-11-21-22(15-19)28-16-27-21)24-12-13-26-20-9-5-4-8-18(20)14-17-6-2-1-3-7-17/h1-11,15H,12-14,16H2,(H,24,25)
InChIKey BXPYCQNXQSTPLD-UHFFFAOYSA-N
Mol Weight 375.42 g/mol
Molecular Formula C23H21NO4
Exact Mass 375.147058 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IwqtyK1LOyU
Name Benzo[1,3]dioxole-5-carboxylic acid, [2-(2-benzylphenoxy)ethyl]amide
Comments Computed using HOSE algorithm
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Exact Mass 375.147058156 u
Formula C23H21NO4
InChI InChI=1S/C23H21NO4/c25-23(19-10-11-21-22(15-19)28-16-27-21)24-12-13-26-20-9-5-4-8-18(20)14-17-6-2-1-3-7-17/h1-11,15H,12-14,16H2,(H,24,25)
InChIKey BXPYCQNXQSTPLD-UHFFFAOYSA-N
Molecular Weight 375.424 g/mol
SMILES C1=C2C(=CC=C1C(NCCOC1=C(C=CC=C1)CC1=CC=CC=C1)=O)OCO2