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Hexadecahydro-N,N',N",N"'-tetramethyl-tetrabenzo[26]porphyrinogen-(3,3,3,3)
SpectraBase Compound ID 9Tq6cXkO1Eo
InChI InChI=1S/C48H60N4/c1-49-41-25-13-27-43-35-19-7-9-21-37(35)45(50(43)2)29-15-31-47-39-23-11-12-24-40(39)48(52(47)4)32-16-30-46-38-22-10-8-20-36(38)44(51(46)3)28-14-26-42(49)34-18-6-5-17-33(34)41/h13-16,25,28-29,32H,5-12,17-24,26-27,30-31H2,1-4H3/b25-13+,28-14+,29-15+,32-16+
InChIKey YCJJPIXHKDCREL-VJXKNDMQSA-N
Mol Weight 693.0 g/mol
Molecular Formula C48H60N4
Exact Mass 692.481798 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 46EKKqdmym
Name Hexadecahydro-N,N',N",N"'-tetramethyl-tetrabenzo[26]porphyrinogen-(3,3,3,3)
Alternate Name(s) Hexadecahydro-N,N',N'',N'''-tetramethyl-tetrabenzo[26]porphyrinogen-(3,3,3,3)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C48H60N4
InChI InChI=1S/C48H60N4/c1-49-41-25-13-27-43-35-19-7-9-21-37(35)45(50(43)2)29-15-31-47-39-23-11-12-24-40(39)48(52(47)4)32-16-30-46-38-22-10-8-20-36(38)44(51(46)3)28-14-26-42(49)34-18-6-5-17-33(34)41/h13-16,25,28-29,32H,5-12,17-24,26-27,30-31H2,1-4H3/b25-13+,28-14+,29-15+,32-16+
InChIKey YCJJPIXHKDCREL-VJXKNDMQSA-N
Molecular Weight 693.036 g/mol
SMILES c12[n](c(c3CCCCc23)C\C=C\c2[n](c(C\C=C\c3c4CCCCc4c([n]3C)C\C=C\c3[n](c(C\C=C\1)c1c3CCCC1)C)c1c2CCCC1)C)C
SPLASH splash10-05fu-4901003000-0eca8dc075d477ba2cc9
Source of Spectrum U-1994-509-25
Wiley ID 765787