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

*Links on SpectraBase are not permalinks.
Indium, (methanethiolato)[5,10,15,20-tetraphenyl-21H,23H-porphinato(2-)-N21,N 22,N23,N24]-, (SP-5-12)-
SpectraBase Compound ID LMwS2qQkpgH
InChI InChI=1S/C44H28N4.CH4S.In/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;1-2;/h1-28H;2H,1H3;/q-2;;+3/p-1/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;;
InChIKey OUFXVYMJXNHAET-YKKPBKTHSA-M
Mol Weight 774.6 g/mol
Molecular Formula C45H31InN4S
Exact Mass 774.130822 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 5b7y0ifYdFw
Name Indium, (methanethiolato)[5,10,15,20-tetraphenyl-21H,23H-porphinato(2-)-N21,N 22,N23,N24]-, (SP-5-12)-
CAS Registry Number 75845-80-6
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C45H31InN4S
InChI InChI=1S/C44H28N4.CH4S.In/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;1-2;/h1-28H;2H,1H3;/q-2;;+3/p-1/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;;
InChIKey OUFXVYMJXNHAET-YKKPBKTHSA-M
Molecular Weight 774.649 g/mol
SMILES c12[n]3[In]([n]4c(c(c5ccc(c2-c2ccccc2)n5)-c2ccccc2)ccc4c(c2nc(c(c3cc1)-c1ccccc1)cc2)-c1ccccc1)SC
SPLASH splash10-004i-0000000900-fcb23db239fa7d2175ff
Source of Spectrum KA-1980-2084-2
Synonyms 21H,23H-porphine, 5,10,15,20-tetraphenyl-, indium complex 22-(methylsulfanyl)-2,7,12,17-tetraphenyl-21,23,24,25-tetraaza-22-indahexacyclo[9.9.3.1(3,6).1(13,16).0(8,23).0(18,21)]pentacosa-1,3(25),4,6,8,10,12,14,16(24),17,19-undecaene Methylthio[5,10,15,20-tetraphenylporphyrinato]indium
Wiley ID 1416786