| SpectraBase Spectrum ID |
5YsRiqOuxGM |
| Name |
T-Butyl 1,10-dihydro-3,7-bis(2-methoxycarbonylethyl)-2,8-bis(methoxycarbonylmethyl)-1-oxodipyrrin-9-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
576.231909976 u |
| Formula |
C28H36N2O11 |
| InChI |
InChI=1S/C28H36N2O11/c1-28(2,3)41-27(36)25-17(12-23(33)39-6)15(8-10-21(31)37-4)19(29-25)14-20-16(9-11-22(32)38-5)18(26(35)30-20)13-24(34)40-7/h14,25H,8-13H2,1-7H3,(H,30,35)/b20-14- |
| InChIKey |
ONIPPQLZUUWQBR-ZHZULCJRSA-N |
| Molecular Weight |
576.599 g/mol |
| SMILES |
C1(=NC(C(=C1CCC(=O)OC)CC(=O)OC)C(OC(C)(C)C)=O)\C=C\1C(=C(CC(=O)OC)C(N1)=O)CCC(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.841314 |
