| SpectraBase Spectrum ID |
1jF9txrbtQy |
| Name |
[4-(Benzo[1,3]dioxol-5-ylmethyl)piperazin-1-yl](4-chlorophenyl)methanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
358.108420177 u |
| Formula |
C19H19ClN2O3 |
| InChI |
InChI=1S/C19H19ClN2O3/c20-16-4-2-15(3-5-16)19(23)22-9-7-21(8-10-22)12-14-1-6-17-18(11-14)25-13-24-17/h1-6,11H,7-10,12-13H2 |
| InChIKey |
WVBQFRCKVWNAOE-UHFFFAOYSA-N |
| Molecular Weight |
358.825 g/mol |
| SMILES |
C(N1CCN(CC=2C=C3C(OCO3)=CC2)CC1)(C=1C=CC(=CC1)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.927983 |
![[4-(Benzo[1,3]dioxol-5-ylmethyl)piperazin-1-yl](4-chlorophenyl)methanone](/api/spectrum/1jF9txrbtQy/structure.png?h=300&w=458 "[4-(Benzo[1,3]dioxol-5-ylmethyl)piperazin-1-yl](4-chlorophenyl)methanone")
