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benzoic acid, 4-[(E)-[[4-(1-naphthalenylmethyl)-1-piperazinyl]imino]methyl]-, methyl ester

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benzoic acid, 4-[(E)-[[4-(1-naphthalenylmethyl)-1-piperazinyl]imino]methyl]-, methyl ester
SpectraBase Compound ID CPwfiH7ZHXF
InChI InChI=1S/C24H25N3O2/c1-29-24(28)21-11-9-19(10-12-21)17-25-27-15-13-26(14-16-27)18-22-7-4-6-20-5-2-3-8-23(20)22/h2-12,17H,13-16,18H2,1H3/b25-17+
InChIKey UKJHJFCRIGSLID-KOEQRZSOSA-N
Mol Weight 387.48 g/mol
Molecular Formula C24H25N3O2
Exact Mass 387.194677 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8PxvSfcuCYA
Name Benzoic acid, 4-[(E)-[[4-(1-naphthalenylmethyl)-1-piperazinyl]imino]methyl]-, methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 387.194677055 u
Formula C24H25N3O2
InChI InChI=1S/C24H25N3O2/c1-29-24(28)21-11-9-19(10-12-21)17-25-27-15-13-26(14-16-27)18-22-7-4-6-20-5-2-3-8-23(20)22/h2-12,17H,13-16,18H2,1H3/b25-17+
InChIKey UKJHJFCRIGSLID-KOEQRZSOSA-N
Molecular Weight 387.483 g/mol
SMILES C=1C=CC=2C(CN3CCN(\N=C\C4=CC=C(C(=O)OC)C=C4)CC3)=CC=CC2C1