| SpectraBase Spectrum ID |
KuWwI0AVHbO |
| Name |
Dibenzyl 3,7-diethyl-2,8-dimethyl-5-(4-acetylphenyl)dipyrromethane-1,9-dicarboxylate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C39H40N2O5 |
| InChI |
InChI=1S/C39H40N2O5/c1-6-31-24(3)34(38(43)45-22-27-14-10-8-11-15-27)40-36(31)33(30-20-18-29(19-21-30)26(5)42)37-32(7-2)25(4)35(41-37)39(44)46-23-28-16-12-9-13-17-28/h8-21,33,40-41H,6-7,22-23H2,1-5H3 |
| InChIKey |
LBFOGLCDNQRZKZ-UHFFFAOYSA-N |
| Molecular Weight |
616.758 g/mol |
| SMILES |
[nH]1c(c(c(c1C(c1[nH]c(c(c1CC)C)C(OCc1ccccc1)=O)c1ccc(cc1)C(=O)C)CC)C)C(OCc1ccccc1)=O |
| SPLASH |
splash10-0006-9000000000-5ae27d96e6813db00f53 |
| Source of Spectrum |
F4-40-879-16 |
| Wiley ID |
1670405 |
