| SpectraBase Spectrum ID |
IcchfT84fkI |
| Name |
Porphyrinogen-2,3,7,8,12,13,17,18-octakis(acetonitrile) |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C36H28N12 |
| InChI |
InChI=1S/C36H28N12/c37-9-1-21-22(2-10-38)30-18-32-25(5-13-41)26(6-14-42)34(47-32)20-36-28(8-16-44)27(7-15-43)35(48-36)19-33-24(4-12-40)23(3-11-39)31(46-33)17-29(21)45-30/h45-48H,1-8,17-20H2 |
| InChIKey |
PTDIONUKUPVCPW-UHFFFAOYSA-N |
| Molecular Weight |
628.704 g/mol |
| SMILES |
[nH]1c2c(c(c1Cc1c(c(c(Cc3c(c(c(Cc4[nH]c(C2)c(c4CC#N)CC#N)[nH]3)CC#N)CC#N)[nH]1)CC#N)CC#N)CC#N)CC#N |
| SPLASH |
splash10-004i-9000000000-cb2980f69d7b5672bfbe |
| Source of Spectrum |
H-70-1169-66 |
| Synonyms |
[5,9,10,14,15,19,20-heptakis(cyanomethyl)-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]acetonitrile |
| Wiley ID |
1411999 |
