| SpectraBase Spectrum ID |
7AxZFQTcGSr |
| Name |
7H-1,4-Dioxino[2,3-H]1,4-benzodiazepin-7-one, 2,3,6,8-tetrahydro-10-ethyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
246.100442316 u |
| Formula |
C13H14N2O3 |
| InChI |
InChI=1S/C13H14N2O3/c1-2-9-8-5-11-12(18-4-3-17-11)6-10(8)15-13(16)7-14-9/h5-6H,2-4,7H2,1H3,(H,15,16) |
| InChIKey |
SLFFCTPLHDKXFZ-UHFFFAOYSA-N |
| Molecular Weight |
246.266 g/mol |
| SMILES |
C12=C(C=C3C(=C2)OCCO3)C(=NCC(N1)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.966371 |
![7H-1,4-Dioxino[2,3-H]1,4-benzodiazepin-7-one, 2,3,6,8-tetrahydro-10-ethyl-](/api/spectrum/7AxZFQTcGSr/structure.png?h=300&w=458 "7H-1,4-Dioxino[2,3-H]1,4-benzodiazepin-7-one, 2,3,6,8-tetrahydro-10-ethyl-")
