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2,7,12,18-Tetramethyl-3,8-diethyl-13,17-bis(3-bromopropyl)porphyrin

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2,7,12,18-Tetramethyl-3,8-diethyl-13,17-bis(3-bromopropyl)porphyrin
SpectraBase Compound ID 191us7IpbSy
InChI InChI=1S/C34H40Br2N4/c1-7-23-19(3)27-15-31-24(8-2)20(4)28(38-31)17-33-26(12-10-14-36)22(6)30(40-33)18-34-25(11-9-13-35)21(5)29(39-34)16-32(23)37-27/h15-18,38-39H,7-14H2,1-6H3/b27-15-,28-17-,29-16-,30-18-,31-15-,32-16-,33-17-,34-18-
InChIKey GUYCMBSZTSNAAX-MYCJGTTRSA-N
Mol Weight 664.5 g/mol
Molecular Formula C34H40Br2N4
Exact Mass 662.161973 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID YuPAuLWv0l
Name 2,7,12,18-Tetramethyl-3,8-diethyl-13,17-bis(3-bromopropyl)porphyrin
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 662.161973304 u
Formula C34H40Br2N4
InChI InChI=1S/C34H40Br2N4/c1-7-23-19(3)27-15-31-24(8-2)20(4)28(38-31)17-33-26(12-10-14-36)22(6)30(40-33)18-34-25(11-9-13-35)21(5)29(39-34)16-32(23)37-27/h15-18,38-39H,7-14H2,1-6H3/b27-15-,28-17-,29-16-,30-18-,31-15-,32-16-,33-17-,34-18-
InChIKey GUYCMBSZTSNAAX-MYCJGTTRSA-N
Molecular Weight 664.530 g/mol
SMILES C1=2N=C(C=C3NC(=CC4=NC(=CC=5NC(C2)=C(C5C)CC)C(=C4C)CCCBr)C(=C3C)CCCBr)C(=C1C)CC