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2,6-Naphthalenediol, 1,5-bis[[3-(4-methylpiperazino)propylimino]methyl]-
SpectraBase Compound ID EKvVLhDGfPb
InChI InChI=1S/C28H42N6O2/c1-31-13-17-33(18-14-31)11-3-9-29-21-25-23-5-8-28(36)26(24(23)6-7-27(25)35)22-30-10-4-12-34-19-15-32(2)16-20-34/h5-8,21-22,35-36H,3-4,9-20H2,1-2H3/b29-21+,30-22+
InChIKey YVKQKGKCMXZZCC-VFIVCBTMSA-N
Mol Weight 494.7 g/mol
Molecular Formula C28H42N6O2
Exact Mass 494.336925 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GTlhJt8U4PE
Name 2,6-Naphthalenediol, 1,5-bis[[3-(4-methylpiperazino)propylimino]methyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 494.336924614 u
Formula C28H42N6O2
InChI InChI=1S/C28H42N6O2/c1-31-13-17-33(18-14-31)11-3-9-29-21-25-23-5-8-28(36)26(24(23)6-7-27(25)35)22-30-10-4-12-34-19-15-32(2)16-20-34/h5-8,21-22,35-36H,3-4,9-20H2,1-2H3/b29-21+,30-22+
InChIKey YVKQKGKCMXZZCC-VFIVCBTMSA-N
Molecular Weight 494.684 g/mol
SMILES C1(\C=N\CCCN2CCN(CC2)C)=C(C=CC2=C1C=CC(O)=C2\C=N\CCCN1CCN(CC1)C)O