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2,4-Diethyl-6,.gamma.-ethano-1,3,5,8-tetramethyl-7-propyl-7,8-dihydroporphtrin

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

2,4-Diethyl-6,.gamma.-ethano-1,3,5,8-tetramethyl-7-propyl-7,8-dihydroporphtrin
SpectraBase Compound ID 8J7FOFVDzfu
InChI InChI=1S/C33H40N4/c1-8-11-23-19(6)28-14-26-17(4)21(9-2)30(34-26)15-27-18(5)22(10-3)31(35-27)16-29-20(7)24-12-13-25(32(23)36-28)33(24)37-29/h14-16,19,23,34,37H,8-13H2,1-7H3/b26-14-,27-15-,28-14-,29-16-,30-15-,31-16-,32-25-/t19-,23-/m0/s1
InChIKey DQPRXZNSKJPTIK-PARPFINVSA-N
Mol Weight 492.7 g/mol
Molecular Formula C33H40N4
Exact Mass 492.325297 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ANNI7tnM1kb
Name 2,4-Diethyl-6,.gamma.-ethano-1,3,5,8-tetramethyl-7-propyl-7,8-dihydroporphtrin
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 492.325297304 u
Formula C33H40N4
InChI InChI=1S/C33H40N4/c1-8-11-23-19(6)28-14-26-17(4)21(9-2)30(34-26)15-27-18(5)22(10-3)31(35-27)16-29-20(7)24-12-13-25(32(23)36-28)33(24)37-29/h14-16,19,23,34,37H,8-13H2,1-7H3/b26-14-,27-15-,28-14-,29-16-,30-15-,31-16-,32-25-/t19-,23-/m0/s1
InChIKey DQPRXZNSKJPTIK-PARPFINVSA-N
Molecular Weight 492.711 g/mol
SMILES C=12C3=C4N=C(C=C5NC(=CC6=NC(=CC(N2)=C(C1CC3)C)C(=C6C)CC)C(=C5C)CC)[C@]([C@@]4(CCC)[H])(C)[H]