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21H,23H-Porphine-5-methanol, 2,7,12,17-tetramethyl-3,8,13,18-tetrapentyl-, acetate (ester)
SpectraBase Compound ID Cqi7fmolwfF
InChI InChI=1S/C47H66N4O2/c1-10-14-18-22-35-31(6)41-27-45-37(24-20-16-12-3)33(8)46(51-45)39(29-53-34(9)52)47-38(25-21-17-13-4)32(7)42(50-47)28-44-36(23-19-15-11-2)30(5)40(48-44)26-43(35)49-41/h26-28,49-50H,10-25,29H2,1-9H3/b40-26-,41-27-,42-28-,43-26-,44-28-,45-27-,46-39-,47-39-
InChIKey LQAJFGVRROIHLZ-AJUQEOEDSA-N
Mol Weight 719.1 g/mol
Molecular Formula C47H66N4O2
Exact Mass 718.518577 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KY6byyyWdjz
Name 21H,23H-Porphine-5-methanol, 2,7,12,17-tetramethyl-3,8,13,18-tetrapentyl-, acetate (ester)
CAS Registry Number 69912-19-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C47H66N4O2
InChI InChI=1S/C47H66N4O2/c1-10-14-18-22-35-31(6)41-27-45-37(24-20-16-12-3)33(8)46(51-45)39(29-53-34(9)52)47-38(25-21-17-13-4)32(7)42(50-47)28-44-36(23-19-15-11-2)30(5)40(48-44)26-43(35)49-41/h26-28,49-50H,10-25,29H2,1-9H3/b40-26-,41-27-,42-28-,43-26-,44-28-,45-27-,46-39-,47-39-
InChIKey LQAJFGVRROIHLZ-AJUQEOEDSA-N
Molecular Weight 719.071 g/mol
SMILES [nH]1c2c(c(c1cc1nc(cc3[nH]c(cc4nc(c2COC(=O)C)c(c4CCCCC)C)c(c3CCCCC)C)c(c1CCCCC)C)C)CCCCC
SPLASH splash10-03di-0000019300-3daed8991ccce8085a38
Source of Spectrum J-44-2080-0
Synonyms .alpha.-(acetoxymethyl)-1,3,5,7-tetramethyl-2,4,6,8-tetra(n-pentyl)porphyrin [5,10,15,20-tetramethyl-4,9,14,19-tetrapentyl-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 acetate
Wiley ID 1415592