21H,23H-Porphine, 5-[[(6-bromohexyl)oxy]methyl]-2,3,7,8,12,13,17,18-octaethyl-

SpectraBase Compound ID	GVLhasLDg2t
InChI	InChI=1S/C43H59BrN4O/c1-9-27-29(11-3)38-24-40-31(13-5)33(15-7)42(47-40)35(26-49-22-20-18-17-19-21-44)43-34(16-8)32(14-6)41(48-43)25-39-30(12-4)28(10-2)37(46-39)23-36(27)45-38/h23-25,45,48H,9-22,26H2,1-8H3/b36-23-,37-23-,38-24-,39-25-,40-24-,41-25-,42-35-,43-35-
InChIKey	FJYLXPUOVXNKNR-JUTPZGFTSA-N Google Search
Mol Weight	727.9 g/mol
Molecular Formula	C43H59BrN4O
Exact Mass	726.387226 g/mol

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SpectraBase Spectrum ID	9OBrzskwo7D
Name	21H,23H-Porphine, 5-[[(6-bromohexyl)oxy]methyl]-2,3,7,8,12,13,17,18-octaethyl-
Alternate Name(s)	2-{[(6-bromohexyl)oxy]methyl}-4,5,9,10,14,15,19,20-octaethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene 6-Bromohexyl[4,5,9,10,14,15,19,20-octaethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaen-2-yl]methyl ether meso-(6-bromohexyloxymethyl)octaethylporphyrin
CAS Registry Number	80056-59-3
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C43H59BrN4O
InChI	InChI=1S/C43H59BrN4O/c1-9-27-29(11-3)38-24-40-31(13-5)33(15-7)42(47-40)35(26-49-22-20-18-17-19-21-44)43-34(16-8)32(14-6)41(48-43)25-39-30(12-4)28(10-2)37(46-39)23-36(27)45-38/h23-25,45,48H,9-22,26H2,1-8H3/b36-23-,37-23-,38-24-,39-25-,40-24-,41-25-,42-35-,43-35-
InChIKey	FJYLXPUOVXNKNR-JUTPZGFTSA-N
Molecular Weight	727.876 g/mol
SMILES	[nH]1c2c(c(c1cc1nc(cc3[nH]c(cc4nc(c2COCCCCCCBr)c(c4CC)CC)c(c3CC)CC)c(c1CC)CC)CC)CC
SPLASH	splash10-005a-0000090500-cf8717c896ba0ad2ee57
Source of Spectrum	KC-1981-2627-0
Wiley ID	1415816