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5,15-Dibutyl-2,3,7,8,12,13,17,18-octaethylporphyrin

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

5,15-Dibutyl-2,3,7,8,12,13,17,18-octaethylporphyrin
SpectraBase Compound ID 3oc9dYBK3ZM
InChI InChI=1S/C44H62N4/c1-11-21-23-35-41-31(17-7)27(13-3)37(45-41)25-39-29(15-5)33(19-9)43(47-39)36(24-22-12-2)44-34(20-10)30(16-6)40(48-44)26-38-28(14-4)32(18-8)42(35)46-38/h25-26,45,48H,11-24H2,1-10H3/b37-25-,38-26-,39-25-,40-26-,41-35-,42-35-,43-36-,44-36-
InChIKey MOTOHPWRPPAKRD-MQSPLCOFSA-N
Mol Weight 647.0 g/mol
Molecular Formula C44H62N4
Exact Mass 646.497448 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jghub4PiZct
Name 5,15-Dibutyl-2,3,7,8,12,13,17,18-octaethylporphyrin
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 646.497448012 u
Formula C44H62N4
InChI InChI=1S/C44H62N4/c1-11-21-23-35-41-31(17-7)27(13-3)37(45-41)25-39-29(15-5)33(19-9)43(47-39)36(24-22-12-2)44-34(20-10)30(16-6)40(48-44)26-38-28(14-4)32(18-8)42(35)46-38/h25-26,45,48H,11-24H2,1-10H3/b37-25-,38-26-,39-25-,40-26-,41-35-,42-35-,43-36-,44-36-
InChIKey MOTOHPWRPPAKRD-MQSPLCOFSA-N
Molecular Weight 647.008 g/mol
SMILES C1=2N=C(C=C3NC(=C(CCCC)C4=NC(=CC=5NC(C2CCCC)=C(C5CC)CC)C(=C4CC)CC)C(=C3CC)CC)C(=C1CC)CC