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2,3-Butano-7,13,17-Triethyl-8,12,18-trimethylporphyrin (tetrahydrobenzoporphyrin)
SpectraBase Compound ID mC9i3vb4TC
InChI InChI=1S/C33H38N4/c1-7-21-18(4)26-14-27-19(5)22(8-2)31(35-27)17-33-25-13-11-10-12-24(25)32(37-33)15-28-20(6)23(9-3)30(36-28)16-29(21)34-26/h14-17,35-36H,7-13H2,1-6H3/b26-14-,27-14-,28-15-,29-16-,30-16-,31-17-,32-15-,33-17-
InChIKey VFGOMPKIXSVEJL-QQJYYZAQSA-N
Mol Weight 490.7 g/mol
Molecular Formula C33H38N4
Exact Mass 490.309647 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Tqk1MlPmgt
Name 2,3-Butano-7,13,17-Triethyl-8,12,18-trimethylporphyrin (tetrahydrobenzoporphyrin)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H38N4
InChI InChI=1S/C33H38N4/c1-7-21-18(4)26-14-27-19(5)22(8-2)31(35-27)17-33-25-13-11-10-12-24(25)32(37-33)15-28-20(6)23(9-3)30(36-28)16-29(21)34-26/h14-17,35-36H,7-13H2,1-6H3/b26-14-,27-14-,28-15-,29-16-,30-16-,31-17-,32-15-,33-17-
InChIKey VFGOMPKIXSVEJL-QQJYYZAQSA-N
Molecular Weight 490.695 g/mol
SMILES [nH]1c2c(c(c1cc1nc(cc3[nH]c(cc4nc(c2)c2c4CCCC2)c(c3C)CC)c(c1CC)C)CC)C
SPLASH splash10-0006-0020900000-270ecbf78d7d6731dc13
Source of Spectrum KC-61-11598-8
Wiley ID 1631543