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2,3,9,10,16,17,23,24-Octaethyl-29,30,31,32-tetramethyl[26]porphyrinogen-(3,3,3,3)
SpectraBase Compound ID JOB1seBw6tp
InChI InChI=1S/C48H68N4/c1-13-33-34(14-2)42-26-22-28-44-37(17-5)38(18-6)46(51(44)11)30-24-32-48-40(20-8)39(19-7)47(52(48)12)31-23-29-45-36(16-4)35(15-3)43(50(45)10)27-21-25-41(33)49(42)9/h21-25,28-29,32H,13-20,26-27,30-31H2,1-12H3/b25-21+,28-22+,29-23+,32-24+
InChIKey XHPBLFIFFSHULG-LCMNEDFFSA-N
Mol Weight 701.1 g/mol
Molecular Formula C48H68N4
Exact Mass 700.544398 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4KZ3VMkmvnw
Name 2,3,9,10,16,17,23,24-Octaethyl-29,30,31,32-tetramethyl[26]porphyrinogen-(3,3,3,3)
Alternate Name(s) 6,7,13,14,20,21,27,28-octaethyl-29,30,31,32-tetramethyl-29,30,31,32-tetraazapentacyclo[24.2.1.1(5,8).1(12,15).1(19,22)]dotriaconta-1(28),2,5,7,9,12,14,16,19,21,23,26-dodecaene
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Formula C48H68N4
InChI InChI=1S/C48H68N4/c1-13-33-34(14-2)42-26-22-28-44-37(17-5)38(18-6)46(51(44)11)30-24-32-48-40(20-8)39(19-7)47(52(48)12)31-23-29-45-36(16-4)35(15-3)43(50(45)10)27-21-25-41(33)49(42)9/h21-25,28-29,32H,13-20,26-27,30-31H2,1-12H3/b25-21+,28-22+,29-23+,32-24+
InChIKey XHPBLFIFFSHULG-LCMNEDFFSA-N
Molecular Weight 701.100 g/mol
SMILES c12[n](c(c(c2CC)CC)C\C=C\c2[n](c(C\C=C\c3[n](C)c(C\C=C\c4[n](c(C\C=C\1)c(c4CC)CC)C)c(CC)c3CC)c(c2CC)CC)C)C
SPLASH splash10-0uk9-0506009800-3ca0467510f222e6165f
Source of Spectrum U-1994-509-26
Wiley ID 765786