For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
5-Heptyl-10,15,20-tris(3-methoxyphenyl)porphyrin
SpectraBase Compound ID CdFGdEqg1XM
InChI InChI=1S/C48H46N4O3/c1-5-6-7-8-9-19-37-38-20-22-40(49-38)46(31-13-10-16-34(28-31)53-2)42-24-26-44(51-42)48(33-15-12-18-36(30-33)55-4)45-27-25-43(52-45)47(41-23-21-39(37)50-41)32-14-11-17-35(29-32)54-3/h10-18,20-30,49,52H,5-9,19H2,1-4H3/b38-37-,39-37-,46-40-,46-42-,47-41-,47-43-,48-44-,48-45-
InChIKey SCECEVNQXDMZHZ-WOXFXTDMSA-N
Mol Weight 726.9 g/mol
Molecular Formula C48H46N4O3
Exact Mass 726.356991 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 5NTEwxpAn0r
Name 5-Heptyl-10,15,20-tris(3-methoxyphenyl)porphyrin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C48H46N4O3
InChI InChI=1S/C48H46N4O3/c1-5-6-7-8-9-19-37-38-20-22-40(49-38)46(31-13-10-16-34(28-31)53-2)42-24-26-44(51-42)48(33-15-12-18-36(30-33)55-4)45-27-25-43(52-45)47(41-23-21-39(37)50-41)32-14-11-17-35(29-32)54-3/h10-18,20-30,49,52H,5-9,19H2,1-4H3/b38-37-,39-37-,46-40-,46-42-,47-41-,47-43-,48-44-,48-45-
InChIKey SCECEVNQXDMZHZ-WOXFXTDMSA-N
Molecular Weight 726.921 g/mol
SMILES [nH]1c2ccc1c(c1nc(c(c3[nH]c(c(c4nc(c2-c2cc(OC)ccc2)cc4)-c2cc(OC)ccc2)cc3)CCCCCCC)cc1)-c1cc(OC)ccc1
SPLASH splash10-004i-0000001900-bdd0f94cabe1c0d82c79
Source of Spectrum KC-91-5553-56
Synonyms 2-Heptyl-7,12,17-tris(3-methoxyphenyl)-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-undecaene
Wiley ID 1629469