| SpectraBase Spectrum ID |
Idohdsz3nDJ |
| Name |
2-(2,2-dihydroxycarbonylvinyl)-5,10,15,20-tetraphenylporphyrin |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C48H32N4O4 |
| InChI |
InChI=1S/C48H32N4O4/c53-47(54)34(48(55)56)27-33-28-41-44(31-17-9-3-10-18-31)39-24-23-37(50-39)42(29-13-5-1-6-14-29)35-21-22-36(49-35)43(30-15-7-2-8-16-30)38-25-26-40(51-38)45(46(33)52-41)32-19-11-4-12-20-32/h1-28,49,52H,(H,53,54)(H,55,56)/b42-35-,42-37-,43-36-,43-38-,44-39-,44-41-,45-40-,46-45- |
| InChIKey |
PSNLOPPZMYOTIA-ZJXLCHQCSA-N |
| Molecular Weight |
728.808 g/mol |
| SMILES |
OC(C(C(=O)O)=Cc1c2[nH]c(c(c3nc(c(c4ccc(c(c5nc(c2-c2ccccc2)cc5)-c2ccccc2)[nH]4)-c2ccccc2)cc3)-c2ccccc2)c1)=O |
| SPLASH |
splash10-001i-0000009200-426f05624e3100e4363f |
| Source of Spectrum |
HC-21-779-0 |
| Synonyms |
2-{[2,7,12,17-tetraphenyl-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-undecaen-4-yl]methylene}malonic acid |
| Wiley ID |
1415877 |
