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Aluminum, (.alpha.-ethylidenebenzenemethanolato)[5,10,15,20-tetraphenyl-21H,23H-porphinato(2-)-N21,N22,N23,N24]-, [SP-5-12-(Z)]-
SpectraBase Compound ID EMsuKMrrM2V
InChI InChI=1S/C44H28N4.C9H10O.Al/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;1-2-9(10)8-6-4-3-5-7-8;/h1-28H;2-7,10H,1H3;/q-2;;+3/p-1/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;9-2+;
InChIKey UTBDEVBXBGKLLH-LEUXIPLYSA-M
Mol Weight 772.9 g/mol
Molecular Formula C53H37AlN4O
Exact Mass 772.278275 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID SVSsGBzA9B
Name Aluminum, (.alpha.-ethylidenebenzenemethanolato)[5,10,15,20-tetraphenyl-21H,23H-porphinato(2-)-N21,N22,N23,N24]-, [SP-5-12-(Z)]-
CAS Registry Number 118102-16-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C53H37AlN4O
InChI InChI=1S/C44H28N4.C9H10O.Al/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;1-2-9(10)8-6-4-3-5-7-8;/h1-28H;2-7,10H,1H3;/q-2;;+3/p-1/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;9-2+;
InChIKey UTBDEVBXBGKLLH-LEUXIPLYSA-M
Molecular Weight 772.888 g/mol
SMILES c12[n]3[Al]([n]4c(c(c5ccc(c2-c2ccccc2)n5)-c2ccccc2)ccc4c(c2nc(c(c3cc1)-c1ccccc1)cc2)-c1ccccc1)O\C(c1ccccc1)=C/C
SPLASH splash10-000i-0000009100-c089bc098807d6992725
Source of Spectrum J-54-419-3
Synonyms 2,7,12,17-tetraphenyl-22-{[(1E)-1-phenylprop-1-en-1-yl]oxy}-21,23,24,25-tetraaza-22-aluminahexacyclo[9.9.3.1(3,6).1(13,16).0(8,23).0(18,21)]pentacosa-1,3(25),4,6,8,10,12,14,16(24),17,19-undecaene 21H,23H-porphine, 5,10,15,20-tetraphenyl-, aluminum complex Benzenemethanol, .alpha.-ethylidene-, aluminum complex, (Z)-
Wiley ID 1416757