| SpectraBase Spectrum ID |
HmCRy1yZ7tK |
| Name |
9-(2,5-Dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl)-1,7,11,17-tetraaza-tricyclo[15.3.1.1*7,11*]docosa-9,18-diene-8,20,21,22-tetraone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
531.211783668 u |
| Formula |
C28H29N5O6 |
| InChI |
InChI=1S/C28H29N5O6/c34-23-12-17-29-13-6-2-7-14-30-19-22(21-18-24(35)33(26(21)37)20-10-4-1-5-11-20)25(36)32(28(30)39)16-9-3-8-15-31(23)27(29)38/h1,4-5,10-12,17-19H,2-3,6-9,13-16H2 |
| InChIKey |
DIDFXEVNXYBCKJ-UHFFFAOYSA-N |
| Molecular Weight |
531.569 g/mol |
| SMILES |
C=1(C=2C(N(C3=CC=CC=C3)C(C2)=O)=O)C(N2CCCCCN3C(=O)C=CN(C3=O)CCCCCN(C2=O)C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.978839 |
![9-(2,5-Dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl)-1,7,11,17-tetraaza-tricyclo[15.3.1.1*7,11*]docosa-9,18-diene-8,20,21,22-tetraone](/api/spectrum/HmCRy1yZ7tK/structure.png?h=300&w=458 "9-(2,5-Dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl)-1,7,11,17-tetraaza-tricyclo[15.3.1.1*7,11*]docosa-9,18-diene-8,20,21,22-tetraone")
