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4-(Benzylamino)-3-(piperidinomethyl)coumarin

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

4-(Benzylamino)-3-(piperidinomethyl)coumarin
SpectraBase Compound ID AR1Sybte0cc
InChI InChI=1S/C22H24N2O2/c25-22-19(16-24-13-7-2-8-14-24)21(18-11-5-6-12-20(18)26-22)23-15-17-9-3-1-4-10-17/h1,3-6,9-12,23H,2,7-8,13-16H2
InChIKey IIJZJENXWARXBH-UHFFFAOYSA-N
Mol Weight 348.45 g/mol
Molecular Formula C22H24N2O2
Exact Mass 348.183778 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IjiacbHGYTa
Name 4-(Benzylamino)-3-(piperidinomethyl)coumarin
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 348.183778019 u
Formula C22H24N2O2
InChI InChI=1S/C22H24N2O2/c25-22-19(16-24-13-7-2-8-14-24)21(18-11-5-6-12-20(18)26-22)23-15-17-9-3-1-4-10-17/h1,3-6,9-12,23H,2,7-8,13-16H2
InChIKey IIJZJENXWARXBH-UHFFFAOYSA-N
Molecular Weight 348.446 g/mol
SMILES C1=CC=C2C(=C1)OC(=O)C(=C2NCC1=CC=CC=C1)CN1CCCCC1