| SpectraBase Spectrum ID |
1NRsJG7gSPy |
| Name |
N-Acetyl-7,7-dichloro-3-azabicyclo[3.3.0]octane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
221.037419442 u |
| Formula |
C9H13Cl2NO |
| InChI |
InChI=1S/C9H13Cl2NO/c1-6(13)12-4-7-2-9(10,11)3-8(7)5-12/h7-8H,2-5H2,1H3 |
| InChIKey |
QCPVMTZZBWZNBV-UHFFFAOYSA-N |
| Molecular Weight |
222.115 g/mol |
| SMILES |
C12CN(CC2CC(C1)(Cl)Cl)C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964595 |
![N-Acetyl-7,7-dichloro-3-azabicyclo[3.3.0]octane](/api/spectrum/1NRsJG7gSPy/structure.png?h=300&w=458 "N-Acetyl-7,7-dichloro-3-azabicyclo[3.3.0]octane")
