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

*Links on SpectraBase are not permalinks.
Indium, (benzenesulfinato-O)[5,10,15,20-tetraphenyl-21H,23H-porphinato(2-)-N21,N22,N23,N24]-, (SP-5-12)-
SpectraBase Compound ID 7Im7ZesdOon
InChI InChI=1S/C44H28N4.C6H6O2S.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;7-9(8)6-4-2-1-3-5-6;/h1-28H;1-5H,(H,7,8);/q-2;;+5/p-1/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;;
InChIKey JVVIWLUTCZQWDX-YKKPBKTHSA-M
Mol Weight 868.7 g/mol
Molecular Formula C50H33InN4O2S
Exact Mass 868.136301 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 7XlMLjgfVow
Name Indium, (benzenesulfinato-O)[5,10,15,20-tetraphenyl-21H,23H-porphinato(2-)-N21,N22,N23,N24]-, (SP-5-12)-
CAS Registry Number 70619-62-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C50H33InN4O2S
InChI InChI=1S/C44H28N4.C6H6O2S.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;7-9(8)6-4-2-1-3-5-6;/h1-28H;1-5H,(H,7,8);/q-2;;+5/p-1/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;;
InChIKey JVVIWLUTCZQWDX-YKKPBKTHSA-M
Molecular Weight 868.718 g/mol
SMILES C1=2[N+]=3[In+2]45([N-]6C(=C(C3C=C1)c1ccccc1)C=CC6=C(c1ccccc1)C1=[N+]4C(C=C1)=C(C=1[N-]5C(C2c2ccccc2)=CC1)c1ccccc1)OS(=O)c1ccccc1
SPLASH splash10-004i-0000000900-2042a4056c6c56ddf46a
Source of Spectrum KA-1980-2084-2
Synonyms 1-[(benzenesulfinyl)oxy]-7,12,17,24-tetraphenyl-2-aza-22-aza-23-aza-25-aza-1-indaoctacyclo[11.9.1.1(1,8).1(3,21).0(2,6).0(16,23).0(18,22).0(11,25)]pentacosa-2,4,6,8,10,12,14,16(23),17,19,21(24)-undecaene-1,1-diium-2,23-bis(ylium)-22,25-diide 21H,23H-porphine, 5,10,15,20-tetraphenyl-, indium complex Benzenesulfinic acid, indium complex Phenylsulfinato[5,10,15,20-tetraphenylporphyrinato]indium
Wiley ID 1417824