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

SpectraBase Compound ID	JyiRIfjXtjL
InChI	InChI=1S/C44H54N4O/c1-9-28-30(11-3)39-23-41-32(13-5)34(15-7)43(47-41)36(26-49-25-27-20-18-17-19-21-27)44-35(16-8)33(14-6)42(48-44)24-40-31(12-4)29(10-2)38(46-40)22-37(28)45-39/h17-24,45,48H,9-16,25-26H2,1-8H3/b37-22-,38-22-,39-23-,40-24-,41-23-,42-24-,43-36-,44-36-
InChIKey	VTAJWDGOKKZRQP-RGZDLJORSA-N Google Search
Mol Weight	654.9 g/mol
Molecular Formula	C44H54N4O
Exact Mass	654.429762 g/mol

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SpectraBase Spectrum ID	KKw0Txp2Vd4
Name	21H,23H-Porphine, 2,3,7,8,12,13,17,18-octaethyl-5-[(phenylmethoxy)methyl]-
Alternate Name(s)	2-[(benzyloxy)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 benzyl[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-(benzyloxymethyl)octaethylporphyrin
CAS Registry Number	80063-85-0
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C44H54N4O
InChI	InChI=1S/C44H54N4O/c1-9-28-30(11-3)39-23-41-32(13-5)34(15-7)43(47-41)36(26-49-25-27-20-18-17-19-21-27)44-35(16-8)33(14-6)42(48-44)24-40-31(12-4)29(10-2)38(46-40)22-37(28)45-39/h17-24,45,48H,9-16,25-26H2,1-8H3/b37-22-,38-22-,39-23-,40-24-,41-23-,42-24-,43-36-,44-36-
InChIKey	VTAJWDGOKKZRQP-RGZDLJORSA-N
Molecular Weight	654.943 g/mol
SMILES	[nH]1c2c(c(c1cc1nc(cc3[nH]c(cc4nc(c2COCc2ccccc2)c(c4CC)CC)c(c3CC)CC)c(c1CC)CC)CC)CC
SPLASH	splash10-0002-0000094000-24bb85430495ec849654
Source of Spectrum	KC-1981-2626-0
Wiley ID	1413325