| SpectraBase Spectrum ID |
S3aptpBZGG |
| Name |
4,4'-bis(Pentyloxy)-7,7'-dimethoxy-5,5'-dinitroindigotin |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
584.211843236 u |
| Formula |
C28H32N4O10 |
| InChI |
InChI=1S/C28H32N4O10/c1-5-7-9-11-41-27-15(31(35)36)13-17(39-3)21-19(27)25(33)23(29-21)24-26(34)20-22(30-24)18(40-4)14-16(32(37)38)28(20)42-12-10-8-6-2/h13-14,29-30H,5-12H2,1-4H3/b24-23+ |
| InChIKey |
WWNXOKKGFNENPP-WCWDXBQESA-N |
| Molecular Weight |
584.582 g/mol |
| SMILES |
C1(\C(=C\2C(C=3C(=C(N(=O)=O)C=C(C3N2)OC)OCCCCC)=O)NC=2C(=CC(=C(C12)OCCCCC)N(=O)=O)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.912451 |
