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2,3,7,8,12,13,17,18-Octaethyl-N(21),N(24) : N(22), N(23)-dibutano-porphyrinogen
SpectraBase Compound ID FbomJXKOj34
InChI InChI=1S/C44H64N4/c1-9-29-33(13-5)41-27-42-35(15-7)31(11-3)39-26-40-32(12-4)36(16-8)44(48(40)24-20-19-23-47(39)42)28-43-34(14-6)30(10-2)38-25-37(29)45(41)21-17-18-22-46(38)43/h9-28H2,1-8H3
InChIKey NBXIRAJBXPDHQN-UHFFFAOYSA-N
Mol Weight 649.0 g/mol
Molecular Formula C44H64N4
Exact Mass 648.513098 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J0WLNjJFJxv
Name 2,3,7,8,12,13,17,18-Octaethyl-N(21),N(24) : N(22), N(23)-dibutano-porphyrinogen
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H64N4
InChI InChI=1S/C44H64N4/c1-9-29-33(13-5)41-27-42-35(15-7)31(11-3)39-26-40-32(12-4)36(16-8)44(48(40)24-20-19-23-47(39)42)28-43-34(14-6)30(10-2)38-25-37(29)45(41)21-17-18-22-46(38)43/h9-28H2,1-8H3
InChIKey NBXIRAJBXPDHQN-UHFFFAOYSA-N
Molecular Weight 649.024 g/mol
SMILES c12[n]3c(Cc4[n]5c(Cc6[n](c(Cc7[n](c(C2)c(c7CC)CC)CCCC3)c(c6CC)CC)CCCC5)c(c4CC)CC)c(c1CC)CC
SPLASH splash10-004l-0900000000-c6b7aca25fb0618202ba
Source of Spectrum U-1993-1079-15
Synonyms 2,3,7,8,17,18,22,23-octaethyl-10,15,25,30-tetraazaheptacyclo[22.6.1.1(9,16).0(4,30).0(6,10).0(15,19).0(21,25)]dotriaconta-1,3,6,8,16,18,21,23-octaene
Wiley ID 765365