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2,3,9,10,16,17,23,24-Octabutyl-29,30,31,32-tetramethyl[26]porphyrinogen-(3,3,3,3)
SpectraBase Compound ID KaOWaCZ1YRb
InChI InChI=1S/C64H100N4/c1-13-21-33-49-50(34-22-14-2)58-42-30-44-60-53(37-25-17-5)54(38-26-18-6)62(67(60)11)46-32-48-64-56(40-28-20-8)55(39-27-19-7)63(68(64)12)47-31-45-61-52(36-24-16-4)51(35-23-15-3)59(66(61)10)43-29-41-57(49)65(58)9/h29-32,41,44-45,48H,13-28,33-40,42-43,46-47H2,1-12H3/b41-29+,44-30+,45-31+,48-32+
InChIKey ZTBNDADUJHEVNN-MGTRXSHCSA-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 3c4zTfzC8RK
Name 2,3,9,10,16,17,23,24-Octabutyl-29,30,31,32-tetramethyl[26]porphyrinogen-(3,3,3,3)
Alternate Name(s) (2E,9E,16E,23E)-6,7,13,14,20,21,27,28-octabutyl-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
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C64H100N4
InChI InChI=1S/C64H100N4/c1-13-21-33-49-50(34-22-14-2)58-42-30-44-60-53(37-25-17-5)54(38-26-18-6)62(67(60)11)46-32-48-64-56(40-28-20-8)55(39-27-19-7)63(68(64)12)47-31-45-61-52(36-24-16-4)51(35-23-15-3)59(66(61)10)43-29-41-57(49)65(58)9/h29-32,41,44-45,48H,13-28,33-40,42-43,46-47H2,1-12H3/b41-29+,44-30+,45-31+,48-32+
InChIKey ZTBNDADUJHEVNN-MGTRXSHCSA-N
Molecular Weight 925.532 g/mol
SMILES c12[n](c(c(c2CCCC)CCCC)C\C=C\c2[n](c(C\C=C\c3[n](C)c(C\C=C\c4[n](c(C\C=C\1)c(c4CCCC)CCCC)C)c(CCCC)c3CCCC)c(c2CCCC)CCCC)C)C
SPLASH splash10-001i-9540601056-bad7576c446aab32f3fa
Source of Spectrum U-1994-509-27
Wiley ID 765785