| SpectraBase Spectrum ID |
1mDdsKr9XSb |
| Name |
2-Hydroxymethyl-5,10,15,20-tetraphenylporphyrin |
| Alternate Name(s) |
[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]methanol |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C45H32N4O |
| InChI |
InChI=1S/C45H32N4O/c50-28-33-27-40-43(31-17-9-3-10-18-31)38-24-23-36(47-38)41(29-13-5-1-6-14-29)34-21-22-35(46-34)42(30-15-7-2-8-16-30)37-25-26-39(48-37)44(45(33)49-40)32-19-11-4-12-20-32/h1-27,46,49-50H,28H2/b41-34-,41-36-,42-35-,42-37-,43-38-,43-40-,44-39-,45-44- |
| InChIKey |
LGVUQXLLSMEWFB-WRBHSUHOSA-N |
| Molecular Weight |
644.778 g/mol |
| SMILES |
[nH]1c2c(CO)cc1c(c1nc(c(c3ccc(c(c4nc(c2-c2ccccc2)cc4)-c2ccccc2)[nH]3)-c2ccccc2)cc1)-c1ccccc1 |
| SPLASH |
splash10-0002-0000009000-3b4a19a147edc7c92ca9 |
| Source of Spectrum |
HC-23-956-0 |
| Wiley ID |
1412867 |
