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(+)-N,N'-bis(3,5-di-tert-butylsalicylidene)-trans-cyclobutane-1,2-diamine

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(+)-N,N'-bis(3,5-di-tert-butylsalicylidene)-trans-cyclobutane-1,2-diamine
SpectraBase Compound ID 8gMmQ1M8khg
InChI InChI=1S/C34H50N2O2/c1-31(2,3)23-15-21(29(37)25(17-23)33(7,8)9)19-35-27-13-14-28(27)36-20-22-16-24(32(4,5)6)18-26(30(22)38)34(10,11)12/h15-20,27-28,37-38H,13-14H2,1-12H3/b35-19+,36-20+/t27-,28-/m1/s1
InChIKey BHQFOUZFSXVBBI-QBWWXLMUSA-N
Mol Weight 518.8 g/mol
Molecular Formula C34H50N2O2
Exact Mass 518.387229 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2iZFBb86dPu
Name (+)-N,N'-bis(3,5-di-tert-butylsalicylidene)-trans-cyclobutane-1,2-diamine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 518.387228856 u
Formula C34H50N2O2
InChI InChI=1S/C34H50N2O2/c1-31(2,3)23-15-21(29(37)25(17-23)33(7,8)9)19-35-27-13-14-28(27)36-20-22-16-24(32(4,5)6)18-26(30(22)38)34(10,11)12/h15-20,27-28,37-38H,13-14H2,1-12H3/b35-19+,36-20+/t27-,28-/m1/s1
InChIKey BHQFOUZFSXVBBI-QBWWXLMUSA-N
Molecular Weight 518.786 g/mol
SMILES C1(=C(C(\C=N\[C@]2([C@](\N=C\C=3C(=C(C(C)(C)C)C=C(C3)C(C)(C)C)O)(CC2)[H])[H])=CC(=C1)C(C)(C)C)O)C(C)(C)C