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4-][2-]{1-](4-]Methoxyphenylamino)ethyl}phenyl]butanoic acid ethyl ester
SpectraBase Compound ID IhBoACrTfg9
InChI InChI=1S/C21H27NO3/c1-4-25-21(23)11-7-9-17-8-5-6-10-20(17)16(2)22-18-12-14-19(24-3)15-13-18/h5-6,8,10,12-16,22H,4,7,9,11H2,1-3H3
InChIKey RZPVUYYOWKPJRX-UHFFFAOYSA-N
Mol Weight 341.45 g/mol
Molecular Formula C21H27NO3
Exact Mass 341.199094 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CY2l8rpyNMN
Name 4-][2-]{1-](4-]Methoxyphenylamino)ethyl}phenyl]butanoic acid ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 341.199093730 u
Formula C21H27NO3
InChI InChI=1S/C21H27NO3/c1-4-25-21(23)11-7-9-17-8-5-6-10-20(17)16(2)22-18-12-14-19(24-3)15-13-18/h5-6,8,10,12-16,22H,4,7,9,11H2,1-3H3
InChIKey RZPVUYYOWKPJRX-UHFFFAOYSA-N
Molecular Weight 341.451 g/mol
SMILES C=1C(C(NC=2C=CC(=CC2)OC)C)=C(CCCC(OCC)=O)C=CC1