2-Bromo-1,3,5,8-tetramethyl-4,6-diethyl-7-[2-(methoxycarbonyl)ethyl]porphyrin

SpectraBase Compound ID	3Xcz8UanCcq
InChI	InChI=1S/C32H35BrN4O2/c1-8-20-17(4)25-14-30-32(33)19(6)26(37-30)12-23-18(5)22(10-11-31(38)39-7)29(36-23)15-28-21(9-2)16(3)24(34-28)13-27(20)35-25/h12-15,35-36H,8-11H2,1-7H3/b23-12-,24-13-,25-14-,26-12-,27-13-,28-15-,29-15-,30-14-
InChIKey	KYXGOJJOVOELBL-DMQUXRTFSA-N Google Search
Mol Weight	587.6 g/mol
Molecular Formula	C32H35BrN4O2
Exact Mass	586.194339 g/mol

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SpectraBase Spectrum ID	L1vx48HPyTX
Name	2-Bromo-1,3,5,8-tetramethyl-4,6-diethyl-7-[2-(methoxycarbonyl)ethyl]porphyrin
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	586.194339381 u
Formula	C32H35BrN4O2
InChI	InChI=1S/C32H35BrN4O2/c1-8-20-17(4)25-14-30-32(33)19(6)26(37-30)12-23-18(5)22(10-11-31(38)39-7)29(36-23)15-28-21(9-2)16(3)24(34-28)13-27(20)35-25/h12-15,35-36H,8-11H2,1-7H3/b23-12-,24-13-,25-14-,26-12-,27-13-,28-15-,29-15-,30-14-
InChIKey	KYXGOJJOVOELBL-DMQUXRTFSA-N
Molecular Weight	587.562 g/mol
SMILES	C1=2N=C(C=C3NC(=CC4=NC(=CC=5NC(C2)=C(C5CC)C)C(=C4CC)C)C(=C3C)CCC(=O)OC)C(=C1Br)C