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5-(4-Hydroxyphenyl)-15-propyl-10,20-diphenylporphyrin

View entire compound with spectra: 1 MS (GC)

5-(4-Hydroxyphenyl)-15-propyl-10,20-diphenylporphyrin
SpectraBase Compound ID AfT4s7cUrc1
InChI InChI=1S/C41H32N4O/c1-2-9-30-31-18-20-33(42-31)39(26-10-5-3-6-11-26)35-22-24-37(44-35)41(28-14-16-29(46)17-15-28)38-25-23-36(45-38)40(27-12-7-4-8-13-27)34-21-19-32(30)43-34/h3-8,10-25,42,45-46H,2,9H2,1H3/b31-30-,32-30-,39-33-,39-35-,40-34-,40-36-,41-37-,41-38-
InChIKey PYYQVOALAPVERE-MIVUTDAYSA-N
Mol Weight 596.7 g/mol
Molecular Formula C41H32N4O
Exact Mass 596.257612 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K9Ky06TQtxX
Name 5-(4-Hydroxyphenyl)-15-propyl-10,20-diphenylporphyrin
Alternate Name(s) 4-[7,17-diphenyl-12-propyl-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaen-2-yl]phenol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C41H32N4O
InChI InChI=1S/C41H32N4O/c1-2-9-30-31-18-20-33(42-31)39(26-10-5-3-6-11-26)35-22-24-37(44-35)41(28-14-16-29(46)17-15-28)38-25-23-36(45-38)40(27-12-7-4-8-13-27)34-21-19-32(30)43-34/h3-8,10-25,42,45-46H,2,9H2,1H3/b31-30-,32-30-,39-33-,39-35-,40-34-,40-36-,41-37-,41-38-
InChIKey PYYQVOALAPVERE-MIVUTDAYSA-N
Molecular Weight 596.734 g/mol
SMILES [nH]1c2ccc1c(c1nc(c(c3ccc(c(-c4ccc(cc4)O)c4nc(c2-c2ccccc2)cc4)[nH]3)-c2ccccc2)cc1)CCC
SPLASH splash10-014j-0010090000-38fe8da40616a2291e77
Source of Spectrum O1-65-2447-12
Wiley ID 1593254