| SpectraBase Spectrum ID |
DIP7Egd3skg |
| Name |
5,15-Bis(3,5-dimethoxyphenyl)-10-(hept-1-ynyl)-20-hexylporphyrin |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C49H52N4O4 |
| InChI |
InChI=1S/C49H52N4O4/c1-7-9-11-13-15-17-39-42-20-24-46(52-42)48(32-26-34(54-3)30-35(27-32)55-4)44-22-18-40(50-44)38(16-14-12-10-8-2)41-19-23-45(51-41)49(47-25-21-43(39)53-47)33-28-36(56-5)31-37(29-33)57-6/h18-31,50,53H,7-14,16H2,1-6H3/b40-38-,41-38-,42-39-,43-39-,48-44-,48-46-,49-45-,49-47- |
| InChIKey |
DGERVFCKFFDXJS-ZYLUWGQNSA-N |
| Molecular Weight |
760.979 g/mol |
| SMILES |
[nH]1c2ccc1c(c1nc(c(c3[nH]c(c(c4nc(c2-c2cc(OC)cc(c2)OC)cc4)C#CCCCCC)cc3)-c2cc(OC)cc(c2)OC)cc1)CCCCCC |
| SPLASH |
splash10-03di-0000000900-7f3a3e80c18123d012cd |
| Source of Spectrum |
KC-61-5560-82 |
| Synonyms |
2,12-bis(3,5-dimethoxyphenyl)-17-(1-heptynyl)-7-hexyl-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 |
| Wiley ID |
1629550 |
