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N(.alpha.)-(2-pyridylmethyl)-N-dodecylhistamine

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

N(.alpha.)-(2-pyridylmethyl)-N-dodecylhistamine
SpectraBase Compound ID L8QcNHv4QKQ
InChI InChI=1S/C23H38N4/c1-2-3-4-5-6-7-8-9-10-13-18-27-20-23(26-21-27)15-17-24-19-22-14-11-12-16-25-22/h11-12,14,16,20-21,24H,2-10,13,15,17-19H2,1H3
InChIKey KHLWQIONJCSGRY-UHFFFAOYSA-N
Mol Weight 370.6 g/mol
Molecular Formula C23H38N4
Exact Mass 370.309647 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DuEyynUxff2
Name N(.alpha.)-(2-pyridylmethyl)-N-dodecylhistamine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 370.309647240 u
Formula C23H38N4
InChI InChI=1S/C23H38N4/c1-2-3-4-5-6-7-8-9-10-13-18-27-20-23(26-21-27)15-17-24-19-22-14-11-12-16-25-22/h11-12,14,16,20-21,24H,2-10,13,15,17-19H2,1H3
InChIKey KHLWQIONJCSGRY-UHFFFAOYSA-N
Molecular Weight 370.585 g/mol
SMILES C1=NC(=CN1CCCCCCCCCCCC)CCNCC1=NC=CC=C1