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[3-tert-Butyl-6,11,16,21-tetraphenylbenziporphyrinato]- palladium(II)
SpectraBase Compound ID D8jLgGpIvtB
InChI InChI=1S/C50H39N3.Pd/c1-50(2,3)39-31-37-30-38(32-39)47(34-18-10-5-11-19-34)41-25-27-43(52-41)49(36-22-14-7-15-23-36)45-29-28-44(53-45)48(35-20-12-6-13-21-35)42-26-24-40(51-42)46(37)33-16-8-4-9-17-33;/h4-32,53H,1-3H3;/b46-40-,47-41-,48-44-,49-45-;
InChIKey BADQJVLPOYAYCS-SEOFOFKXSA-N
Mol Weight 788.3 g/mol
Molecular Formula C50H39N3Pd
Exact Mass 787.217878 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2F8rdtC1d1F
Name [3-tert-Butyl-6,11,16,21-tetraphenylbenziporphyrinato]- palladium(II)
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Formula C50H39N3Pd
InChI InChI=1S/C50H39N3.Pd/c1-50(2,3)39-31-37-30-38(32-39)47(34-18-10-5-11-19-34)41-25-27-43(52-41)49(36-22-14-7-15-23-36)45-29-28-44(53-45)48(35-20-12-6-13-21-35)42-26-24-40(51-42)46(37)33-16-8-4-9-17-33;/h4-32,53H,1-3H3;/b46-40-,47-41-,48-44-,49-45-;
InChIKey BADQJVLPOYAYCS-SEOFOFKXSA-N
Molecular Weight 788.304 g/mol
SMILES [Pd].N1\C=2C=C\C1=C/(C=1C=C\C(=C\(c3cc(\C(=C\4C=CC(C\2c2ccccc2)=N4)c2ccccc2)cc(c3)C(C)(C)C)c2ccccc2)N1)c1ccccc1
SPLASH splash10-000i-0001002900-02d99f20f8abb5b94b2c
Source of Spectrum Timothy D. Lash, et al. Tetrahedron, V.65, 2009, P.9527-9535
Synonyms (1(1)E,1(2)Z,3(2)Z,3(5)Z,5(1)E,5(2)Z)-7(5)-(tert-butyl)-2,4,6,8-tetraphenyl-3(2),3(5)-dihydro-1(2)H,3(1)H,5(2)H-1,5(5,2),3(2,5)-tripyrrola-7(1,3)-benzenacyclooctaphane, palladium salt
Wiley ID 1816849