| SpectraBase Spectrum ID |
6kvhkhfyVV2 |
| Name |
3-{[4-(p-Chlorophenyl)-1-piperazinyl]methylene}phthalide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
340.097855493 u |
| Formula |
C19H17ClN2O2 |
| InChI |
InChI=1S/C19H17ClN2O2/c20-14-5-7-15(8-6-14)22-11-9-21(10-12-22)13-18-16-3-1-2-4-17(16)19(23)24-18/h1-8,13H,9-12H2 |
| InChIKey |
FMKCIMZZEQYCMM-UHFFFAOYSA-N |
| Molecular Weight |
340.810 g/mol |
| SMILES |
C=1C=CC=2C(=O)OC(C2C1)=CN1CCN(C=2C=CC(=CC2)Cl)CC1 |
| Spectrum/Structure Validation Score (Raman) |
0.89534 |
![3-{[4-(p-Chlorophenyl)-1-piperazinyl]methylene}phthalide](/api/spectrum/6kvhkhfyVV2/structure.png?h=300&w=458 "3-{[4-(p-Chlorophenyl)-1-piperazinyl]methylene}phthalide")
