| SpectraBase Spectrum ID |
6c760ShLVJf |
| Name |
3-Nitro-13,13-dimethyl-7-oxo-5,11B,12,13-tetrahydro-7H-isoindolo[2,1-B]-[2]-benzazpine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
322.131742445 u |
| Formula |
C19H18N2O3 |
| InChI |
InChI=1S/C19H18N2O3/c1-19(2)10-17-14-5-3-4-6-15(14)18(22)20(17)11-12-9-13(21(23)24)7-8-16(12)19/h3-9,17H,10-11H2,1-2H3 |
| InChIKey |
ZPOJYHSLBGABMW-UHFFFAOYSA-N |
| Molecular Weight |
322.364 g/mol |
| SMILES |
C1(N2C(C=3C=CC=CC13)CC(C)(C)C1=C(C2)C=C(N(=O)=O)C=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957126 |
![3-Nitro-13,13-dimethyl-7-oxo-5,11b,12,13-tetrahydro-7H-isoindolo[2,1-b]-[2]-benzazpine](/api/spectrum/6c760ShLVJf/structure.png?h=300&w=458 "3-Nitro-13,13-dimethyl-7-oxo-5,11b,12,13-tetrahydro-7H-isoindolo[2,1-b]-[2]-benzazpine")
