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3,11-Dipropyl-7-[(t-butoxy)carbonyl]-3,7,11,17-tetraazabicyclo[11.3.1]heptadeca-1(16),13(17),14-triene
SpectraBase Compound ID KPwwWYI4Rwc
InChI InChI=1S/C24H42N4O2/c1-6-13-26-15-9-17-28(23(29)30-24(3,4)5)18-10-16-27(14-7-2)20-22-12-8-11-21(19-26)25-22/h8,11-12H,6-7,9-10,13-20H2,1-5H3
InChIKey NHXPXXRJFQYWQX-UHFFFAOYSA-N
Mol Weight 418.6 g/mol
Molecular Formula C24H42N4O2
Exact Mass 418.330777 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3PdnXfODwez
Name 3,11-Dipropyl-7-[(T-butoxy)carbonyl]-3,7,11,17-tetraazabicyclo[11.3.1]heptadeca-1(16),13(17),14-triene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 418.330776606 u
Formula C24H42N4O2
InChI InChI=1S/C24H42N4O2/c1-6-13-26-15-9-17-28(23(29)30-24(3,4)5)18-10-16-27(14-7-2)20-22-12-8-11-21(19-26)25-22/h8,11-12H,6-7,9-10,13-20H2,1-5H3
InChIKey NHXPXXRJFQYWQX-UHFFFAOYSA-N
Molecular Weight 418.626 g/mol
SMILES C(N1CCCN(CC=2C=CC=C(N2)CN(CCC1)CCC)CCC)(OC(C)(C)C)=O