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2-naphthalenol, 1-[(E)-[[4-(1-naphthalenylmethyl)-1-piperazinyl]imino]methyl]-
SpectraBase Compound ID K9Fct2VPXXs
InChI InChI=1S/C26H25N3O/c30-26-13-12-21-7-2-4-11-24(21)25(26)18-27-29-16-14-28(15-17-29)19-22-9-5-8-20-6-1-3-10-23(20)22/h1-13,18,30H,14-17,19H2/b27-18+
InChIKey XIWMCDOIIPVLJD-OVVQPSECSA-N
Mol Weight 395.51 g/mol
Molecular Formula C26H25N3O
Exact Mass 395.199762 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A4exmSVDLn6
Name 2-Naphthalenol, 1-[(E)-[[4-(1-naphthalenylmethyl)-1-piperazinyl]imino]methyl]-
Comments Computed using HOSE algorithm
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Exact Mass 395.199762436 u
Formula C26H25N3O
InChI InChI=1S/C26H25N3O/c30-26-13-12-21-7-2-4-11-24(21)25(26)18-27-29-16-14-28(15-17-29)19-22-9-5-8-20-6-1-3-10-23(20)22/h1-13,18,30H,14-17,19H2/b27-18+
InChIKey XIWMCDOIIPVLJD-OVVQPSECSA-N
Molecular Weight 395.506 g/mol
SMILES OC1=C(\C=N\N2CCN(CC2)CC=2C3=C(C=CC=C3)C=CC2)C2=C(C=CC=C2)C=C1