| SpectraBase Spectrum ID |
13uazKnycZJ |
| Name |
Ethyl 7,8,12,13,17,18-hexaethyl-3-(phthalimidomethyl)porphyrin-2-carboxylate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
709.362805009 u |
| Formula |
C44H47N5O4 |
| InChI |
InChI=1S/C44H47N5O4/c1-8-24-25(9-2)34-20-36-28(12-5)29(13-6)38(47-36)22-40-41(44(52)53-14-7)32(23-49-42(50)30-17-15-16-18-31(30)43(49)51)39(48-40)21-37-27(11-4)26(10-3)35(46-37)19-33(24)45-34/h15-22,45,48H,8-14,23H2,1-7H3/b33-19-,34-20-,35-19-,36-20-,37-21-,38-22-,39-21-,40-22- |
| InChIKey |
YNRMSJOKMGOZDP-UFRVCQEYSA-N |
| SMILES |
C1(N(C(C=2C=CC=CC12)=O)CC=1C(=C2C=C3N=C(C=C4NC(=CC5=NC(=CC1N2)C(=C5CC)CC)C(=C4CC)CC)C(=C3CC)CC)C(=O)OCC)=O |
