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5-(4-Hydroxyphenyl)-10,20-bis(3-methoxyphenyl)-15-pentylporphyrin
SpectraBase Compound ID 9a0X9AujnG2
InChI InChI=1S/C45H40N4O3/c1-4-5-6-13-34-35-18-20-39(46-35)44(29-9-7-11-32(26-29)51-2)41-24-22-37(48-41)43(28-14-16-31(50)17-15-28)38-23-25-42(49-38)45(40-21-19-36(34)47-40)30-10-8-12-33(27-30)52-3/h7-12,14-27,46,49-50H,4-6,13H2,1-3H3/b35-34-,36-34-,43-37-,43-38-,44-39-,44-41-,45-40-,45-42-
InChIKey BGCXCJPTPXABEZ-YNHAILHXSA-N
Mol Weight 684.8 g/mol
Molecular Formula C45H40N4O3
Exact Mass 684.310041 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CtnZ4kAQusg
Name 5-(4-Hydroxyphenyl)-10,20-bis(3-methoxyphenyl)-15-pentylporphyrin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C45H40N4O3
InChI InChI=1S/C45H40N4O3/c1-4-5-6-13-34-35-18-20-39(46-35)44(29-9-7-11-32(26-29)51-2)41-24-22-37(48-41)43(28-14-16-31(50)17-15-28)38-23-25-42(49-38)45(40-21-19-36(34)47-40)30-10-8-12-33(27-30)52-3/h7-12,14-27,46,49-50H,4-6,13H2,1-3H3/b35-34-,36-34-,43-37-,43-38-,44-39-,44-41-,45-40-,45-42-
InChIKey BGCXCJPTPXABEZ-YNHAILHXSA-N
Molecular Weight 684.840 g/mol
SMILES [nH]1c2c(c3nc(c(c4ccc(c(c5nc(c(-c6ccc(cc6)O)c1cc2)cc5)-c1cc(OC)ccc1)[nH]4)CCCCC)cc3)-c1cc(OC)ccc1
SPLASH splash10-0036-0004009000-12cccac349267697a23a
Source of Spectrum O1-65-2448-16
Synonyms 4-[7,17-bis(3-methoxyphenyl)-12-pentyl-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
Wiley ID 1593250