| SpectraBase Spectrum ID |
H7E26Lt0uq5 |
| Name |
1-(3-Chlorophenyl)-4-(ethoxycarbonyl)piperazine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
268.097855493 u |
| Formula |
C13H17ClN2O2 |
| InChI |
InChI=1S/C13H17ClN2O2/c1-2-18-13(17)16-8-6-15(7-9-16)12-5-3-4-11(14)10-12/h3-5,10H,2,6-9H2,1H3 |
| InChIKey |
SAASTLCYJBDGAX-UHFFFAOYSA-N |
| Molecular Weight |
268.744 g/mol |
| SMILES |
C1(N2CCN(C(OCC)=O)CC2)=CC(=CC=C1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.843001 |
