| SpectraBase Spectrum ID |
CKZPv3yS4sy |
| Name |
1-(4-(4-(Benzo[D][1,3]dioxole-5-carbonyl)-1,4-diazepan-1-yl)phenyl)ethan-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
366.157957192 u |
| Formula |
C21H22N2O4 |
| InChI |
InChI=1S/C21H22N2O4/c1-15(24)16-3-6-18(7-4-16)22-9-2-10-23(12-11-22)21(25)17-5-8-19-20(13-17)27-14-26-19/h3-8,13H,2,9-12,14H2,1H3 |
| InChIKey |
IVXHYFVGGNIQBB-UHFFFAOYSA-N |
| Molecular Weight |
366.417 g/mol |
| SMILES |
C(C)(=O)C1=CC=C(C=C1)N1CCN(CCC1)C(=O)C1=CC=C2OCOC2=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.800262 |
![1-(4-(4-(Benzo[D][1,3]dioxole-5-carbonyl)-1,4-diazepan-1-yl)phenyl)ethan-1-one](/api/spectrum/CKZPv3yS4sy/structure.png?h=300&w=458 "1-(4-(4-(Benzo[D][1,3]dioxole-5-carbonyl)-1,4-diazepan-1-yl)phenyl)ethan-1-one")
