| SpectraBase Spectrum ID |
E9nW0qq5ckK |
| Name |
2,3,7,8,12,13,17,18-Octaethyl-5-phenoxy-10,15,20-triphenylporphyrine |
| Alternate Name(s) |
4,5,9,10,14,15,19,20-octaethyl-12-phenoxy-2,7,17-triphenyl-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C60H62N4O |
| InChI |
InChI=1S/C60H62N4O/c1-9-41-43(11-3)54-50(38-31-23-18-24-32-38)56-45(13-5)47(15-7)58(63-56)60(65-40-35-27-20-28-36-40)59-48(16-8)46(14-6)57(64-59)51(39-33-25-19-26-34-39)55-44(12-4)42(10-2)53(62-55)49(52(41)61-54)37-29-21-17-22-30-37/h17-36,61,64H,9-16H2,1-8H3/b52-49-,53-49-,54-50-,55-51-,56-50-,57-51-,60-58+,60-59+ |
| InChIKey |
XMOXDTQZZIADKM-BPIDXJQESA-N |
| Molecular Weight |
855.183 g/mol |
| SMILES |
[nH]1c2c(c3nc(c(c4[nH]c(c(c5nc(c(c1c(c2CC)CC)-c1ccccc1)c(c5CC)CC)Oc1ccccc1)c(c4CC)CC)-c1ccccc1)c(c3CC)CC)-c1ccccc1 |
| SPLASH |
splash10-0zfr-0000000090-f654c4a1ad2736724dba |
| Source of Spectrum |
K1-2001-1750-47 |
| Wiley ID |
846378 |
