| SpectraBase Spectrum ID |
LeF3fGF3MkE |
| Name |
Acetamide, N-(6,7,9,10,17,18,20,21-octahydro-3,14-dinitrodibenzo[B,K][1,4,7,10,13,16]hexaoxacyclooctadecin-2-yl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
507.148908626 u |
| Formula |
C22H25N3O11 |
| InChI |
InChI=1S/C22H25N3O11/c1-15(26)23-17-13-21-22(14-18(17)25(29)30)36-11-7-31-4-8-33-19-3-2-16(24(27)28)12-20(19)34-9-5-32-6-10-35-21/h2-3,12-14H,4-11H2,1H3,(H,23,26) |
| InChIKey |
NMFBKAUQJNTTBW-UHFFFAOYSA-N |
| Molecular Weight |
507.452 g/mol |
| SMILES |
C1(N(=O)=O)=C(C=C2C(=C1)OCCOCCOC1=C(C=C(N(=O)=O)C=C1)OCCOCCO2)NC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.89172 |
![Acetamide, N-(6,7,9,10,17,18,20,21-octahydro-3,14-dinitrodibenzo[B,K][1,4,7,10,13,16]hexaoxacyclooctadecin-2-yl)-](/api/spectrum/LeF3fGF3MkE/structure.png?h=300&w=458 "Acetamide, N-(6,7,9,10,17,18,20,21-octahydro-3,14-dinitrodibenzo[B,K][1,4,7,10,13,16]hexaoxacyclooctadecin-2-yl)-")
