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3,(!),5(1)-cyclo-3(1)-ethyl-2,7,8,12,13,17,18-heptapropyl-21H,23H-porphin

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

3,(!),5(1)-cyclo-3(1)-ethyl-2,7,8,12,13,17,18-heptapropyl-21H,23H-porphin
SpectraBase Compound ID IGIrAkQ1SU1
InChI InChI=1S/C45H62N4/c1-9-17-29-31(19-11-3)39-26-41-33(21-13-5)34(22-14-6)44(48-41)36-24-28(16-8)43-35(23-15-7)42(49-45(36)43)27-40-32(20-12-4)30(18-10-2)38(47-40)25-37(29)46-39/h25-28,46,49H,9-24H2,1-8H3/b37-25-,38-25-,39-26-,40-27-,41-26-,42-27-,44-36-
InChIKey FOJYAHAFYBULLR-UYKICCJPSA-N
Mol Weight 659.0 g/mol
Molecular Formula C45H62N4
Exact Mass 658.497448 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KXhzrGDlSAx
Name 3,(!),5(1)-cyclo-3(1)-ethyl-2,7,8,12,13,17,18-heptapropyl-21H,23H-porphin
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 658.497448012 u
Formula C45H62N4
InChI InChI=1S/C45H62N4/c1-9-17-29-31(19-11-3)39-26-41-33(21-13-5)34(22-14-6)44(48-41)36-24-28(16-8)43-35(23-15-7)42(49-45(36)43)27-40-32(20-12-4)30(18-10-2)38(47-40)25-37(29)46-39/h25-28,46,49H,9-24H2,1-8H3/b37-25-,38-25-,39-26-,40-27-,41-26-,42-27-,44-36-
InChIKey FOJYAHAFYBULLR-UYKICCJPSA-N
Molecular Weight 659.019 g/mol
SMILES C12=C3N=C(C=C4NC(C(=C4CCC)CCC)=CC4=NC(=CC=5NC1=C(C5CCC)C(C2)CC)C(=C4CCC)CCC)C(=C3CCC)CCC