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21H,23H-Porphine-2,18-dipropanoic acid, 5-(benzoyloxy)-7,12-diethenyl-3,8,13,17-tetramethyl-, dimethyl ester
SpectraBase Compound ID 9x4oibwbKZB
InChI InChI=1S/C43H42N4O6/c1-9-28-23(3)32-20-33-25(5)30(16-18-38(48)51-7)36(45-33)22-37-31(17-19-39(49)52-8)26(6)40(47-37)42(53-43(50)27-14-12-11-13-15-27)41-29(10-2)24(4)34(46-41)21-35(28)44-32/h9-15,20-22,44,47H,1-2,16-19H2,3-8H3/b32-20-,33-20-,34-21-,35-21-,36-22-,37-22-,42-40+,42-41+
InChIKey NETRGZMWQNJUKQ-XTOOUINOSA-N
Mol Weight 710.8 g/mol
Molecular Formula C43H42N4O6
Exact Mass 710.310435 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 577yN4XKDJl
Name 21H,23H-Porphine-2,18-dipropanoic acid, 5-(benzoyloxy)-7,12-diethenyl-3,8,13,17-tetramethyl-, dimethyl ester
CAS Registry Number 83807-56-1
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C43H42N4O6
InChI InChI=1S/C43H42N4O6/c1-9-28-23(3)32-20-33-25(5)30(16-18-38(48)51-7)36(45-33)22-37-31(17-19-39(49)52-8)26(6)40(47-37)42(53-43(50)27-14-12-11-13-15-27)41-29(10-2)24(4)34(46-41)21-35(28)44-32/h9-15,20-22,44,47H,1-2,16-19H2,3-8H3/b32-20-,33-20-,34-21-,35-21-,36-22-,37-22-,42-40+,42-41+
InChIKey NETRGZMWQNJUKQ-XTOOUINOSA-N
Molecular Weight 710.831 g/mol
SMILES [nH]1c2c(c(c1cc1nc(cc3[nH]c(c(c4nc(c2)c(c4C=C)C)OC(=O)c2ccccc2)c(c3CCC(=O)OC)C)c(c1C)CCC(=O)OC)C)C=C
SPLASH splash10-03di-0000000900-556771a52a829be9670a
Source of Spectrum KC-1987-310-13
Synonyms 5,9-bis(3-methoxy-3-oxopropyl)-4,10,14,19-tetramethyl-15,20-divinyl-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 benzoate Isomer III, .beta.-benzoyloxyprotoporphyrin-ix dimethyl ester
Wiley ID 1415360