| SpectraBase Spectrum ID |
CjboqoqVwt6 |
| Name |
3-Fluoro-N-(2-oxo-1-pentylazepan-3-yl)benzamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
320.190006214 u |
| Formula |
C18H25FN2O2 |
| InChI |
InChI=1S/C18H25FN2O2/c1-2-3-5-11-21-12-6-4-10-16(18(21)23)20-17(22)14-8-7-9-15(19)13-14/h7-9,13,16H,2-6,10-12H2,1H3,(H,20,22) |
| InChIKey |
XABMIMUJRCEGBE-UHFFFAOYSA-N |
| Molecular Weight |
320.408 g/mol |
| SMILES |
C(C1=CC(=CC=C1)F)(=O)NC1C(N(CCCC1)CCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.853391 |
