| SpectraBase Spectrum ID |
DBBY2G4RLkY |
| Name |
Indium, (2-methyl-2-propanethiolato)[5,10,15,20-tetraphenyl-21H,23H-porphinat o(2-)-N21,N22,N23,N24]-, (SP-5-12)- |
| Alternate Name(s) |
2-Propanethiol, 2-methyl-, indium complex
21H,23H-porphine, 5,10,15,20-tetraphenyl-, indium complex
22-(tert-butylsulfanyl)-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
t-butylthio[5,10,15,20-tetraphenylporphyrinato]indium |
| CAS Registry Number |
75845-81-7 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C48H37InN4S |
| InChI |
InChI=1S/C44H28N4.C4H10S.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;1-4(2,3)5;/h1-28H;5H,1-3H3;/q-2;;+3/p-1/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;; |
| InChIKey |
WUJXSJMGVSWHPE-YKKPBKTHSA-M |
| Molecular Weight |
816.730 g/mol |
| SMILES |
c12[n]3[In]([n]4c(c(c5ccc(c2-c2ccccc2)n5)-c2ccccc2)ccc4c(c2nc(c(c3cc1)-c1ccccc1)cc2)-c1ccccc1)SC(C)(C)C |
| SPLASH |
splash10-004i-0000000900-624fd398763af5f0c5af |
| Source of Spectrum |
KA-1980-2084-2 |
| Wiley ID |
1417391 |
![Indium, (2-methyl-2-propanethiolato)[5,10,15,20-tetraphenyl-21H,23H-porphinat o(2-)-N21,N22,N23,N24]-, (SP-5-12)-](/api/spectrum/DBBY2G4RLkY/structure.png?h=300&w=458 "Indium, (2-methyl-2-propanethiolato)[5,10,15,20-tetraphenyl-21H,23H-porphinat o(2-)-N21,N22,N23,N24]-, (SP-5-12)-")
