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2,3,9,10,16,17,23,24-Octaisobutyl-29,30,31,32-tetramethyl[26]porphyrinogen-(3,3,3,3)
SpectraBase Compound ID FDmCwLu8Qn0
InChI InChI=1S/C64H100N4/c1-41(2)33-49-50(34-42(3)4)58-26-22-28-60-53(37-45(9)10)54(38-46(11)12)62(67(60)19)30-24-32-64-56(40-48(15)16)55(39-47(13)14)63(68(64)20)31-23-29-61-52(36-44(7)8)51(35-43(5)6)59(66(61)18)27-21-25-57(49)65(58)17/h21-25,28-29,32,41-48H,26-27,30-31,33-40H2,1-20H3/b25-21+,28-22+,29-23+,32-24+
InChIKey ATXXHFZGNJPQRV-LCMNEDFFSA-N
Mol Weight 925.5 g/mol
Molecular Formula C64H100N4
Exact Mass 924.794799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8dUEGbP08Gc
Name 2,3,9,10,16,17,23,24-Octaisobutyl-29,30,31,32-tetramethyl[26]porphyrinogen-(3,3,3,3)
Alternate Name(s) (2E,9E,16E,23E)-29,30,31,32-tetramethyl-6,7,13,14,20,21,27,28-octakis(2-methylpropyl)-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
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C64H100N4
InChI InChI=1S/C64H100N4/c1-41(2)33-49-50(34-42(3)4)58-26-22-28-60-53(37-45(9)10)54(38-46(11)12)62(67(60)19)30-24-32-64-56(40-48(15)16)55(39-47(13)14)63(68(64)20)31-23-29-61-52(36-44(7)8)51(35-43(5)6)59(66(61)18)27-21-25-57(49)65(58)17/h21-25,28-29,32,41-48H,26-27,30-31,33-40H2,1-20H3/b25-21+,28-22+,29-23+,32-24+
InChIKey ATXXHFZGNJPQRV-LCMNEDFFSA-N
Molecular Weight 925.532 g/mol
SMILES c1(c(c2C\C=C\c3c(c(CC(C)C)c([n]3C)C\C=C\c3[n](c(c(c3CC(C)C)CC(C)C)C\C=C\c3[n](c(c(c3CC(C)C)CC(C)C)C\C=C\c1[n]2C)C)C)CC(C)C)CC(C)C)CC(C)C
SPLASH splash10-0730-7050663039-803b65c542130497abd9
Source of Spectrum U-1994-509-28
Wiley ID 765784