| SpectraBase Spectrum ID |
FLgWEbUlcJb |
| Name |
Porphyrinogen-2,3,7,8,12,13,17,18-octakis(propiononitrile) |
| Alternate Name(s) |
3-[5,9,10,14,15,19,20-heptakis(2-cyanoethyl)-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1(20),3,5,8,10,13,15,18-octaen-4-yl]propanenitrile |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C44H44N12 |
| InChI |
InChI=1S/C44H44N12/c45-17-1-9-29-30(10-2-18-46)38-26-40-33(13-5-21-49)34(14-6-22-50)42(55-40)28-44-36(16-8-24-52)35(15-7-23-51)43(56-44)27-41-32(12-4-20-48)31(11-3-19-47)39(54-41)25-37(29)53-38/h53-56H,1-16,25-28H2 |
| InChIKey |
ZBKDOBQFXYVIIR-UHFFFAOYSA-N |
| Molecular Weight |
740.920 g/mol |
| SMILES |
[nH]1c2c(c(c1Cc1c(c(c(Cc3c(c(c(Cc4[nH]c(C2)c(c4CCC#N)CCC#N)[nH]3)CCC#N)CCC#N)[nH]1)CCC#N)CCC#N)CCC#N)CCC#N |
| SPLASH |
splash10-066u-9000000000-3c7340dc56956bcb14e5 |
| Source of Spectrum |
H-70-1169-65 |
| Wiley ID |
1416107 |
