| SpectraBase Spectrum ID |
3ToGKPCMOdP |
| Name |
3-(p-Chlorobenzoyl)-8-methyl-3,8-diazabicyclo[3.2.1]octan-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
278.082205429 u |
| Formula |
C14H15ClN2O2 |
| InChI |
InChI=1S/C14H15ClN2O2/c1-16-11-6-7-12(16)14(19)17(8-11)13(18)9-2-4-10(15)5-3-9/h2-5,11-12H,6-8H2,1H3 |
| InChIKey |
WIEXLIFGEQOHPS-UHFFFAOYSA-N |
| SMILES |
C=1C(=CC=C(C1)C(N1C(C2N(C(C1)CC2)C)=O)=O)Cl |
| Spectrum/Structure Validation Score (Raman) |
0.866299 |
![3-(p-Chlorobenzoyl)-8-methyl-3,8-diazabicyclo[3.2.1]octan-2-one](/api/spectrum/3ToGKPCMOdP/structure.png?h=300&w=458 "3-(p-Chlorobenzoyl)-8-methyl-3,8-diazabicyclo[3.2.1]octan-2-one")
