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2(4),3(4)-Diaza-12,13-diethyl-7,18-dibutyl-8,17-dimetrhylphenanthro[9,10-b]porphyrin
SpectraBase Compound ID Hv0LdUuiKJF
InChI InChI=1S/C44H46N6/c1-7-11-15-29-25(5)33-21-35-27(9-3)28(10-4)36(49-35)22-34-26(6)30(16-12-8-2)38(48-34)24-40-42-32-18-14-20-46-44(32)43-31(17-13-19-45-43)41(42)39(50-40)23-37(29)47-33/h13-14,17-24,49-50H,7-12,15-16H2,1-6H3/b33-21-,34-22-,35-21-,36-22-,37-23-,38-24-,39-23-,40-24-
InChIKey XEGNLGZNCVZWEF-IFRWIYIDSA-N
Mol Weight 658.9 g/mol
Molecular Formula C44H46N6
Exact Mass 658.378396 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FSpeSTRS8F8
Name 2(4),3(4)-Diaza-12,13-diethyl-7,18-dibutyl-8,17-dimetrhylphenanthro[9,10-b]porphyrin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H46N6
InChI InChI=1S/C44H46N6/c1-7-11-15-29-25(5)33-21-35-27(9-3)28(10-4)36(49-35)22-34-26(6)30(16-12-8-2)38(48-34)24-40-42-32-18-14-20-46-44(32)43-31(17-13-19-45-43)41(42)39(50-40)23-37(29)47-33/h13-14,17-24,49-50H,7-12,15-16H2,1-6H3/b33-21-,34-22-,35-21-,36-22-,37-23-,38-24-,39-23-,40-24-
InChIKey XEGNLGZNCVZWEF-IFRWIYIDSA-N
Molecular Weight 658.894 g/mol
SMILES [nH]1c2cc3nc(cc4c5c(c(cc6nc(cc1c(c2CC)CC)c(c6CCCC)C)[nH]4)c1c(c2ncccc52)nccc1)c(c3C)CCCC
SPLASH splash10-0a4i-0000009000-c3a75a7f793fb23f8323
Source of Spectrum KC-61-11611-1
Wiley ID 1631531