SpectraBase Spectrum ID |
IqPM11fgxnk |
Name |
1-(1-(Benzo[D][1,3]dioxol-5-yl)propan-2-yl)piperazine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
248.152477890 u |
Formula |
C14H20N2O2 |
InChI |
InChI=1S/C14H20N2O2/c1-11(16-6-4-15-5-7-16)8-12-2-3-13-14(9-12)18-10-17-13/h2-3,9,11,15H,4-8,10H2,1H3 |
InChIKey |
USBKVDZSHNFMOH-UHFFFAOYSA-N |
Molecular Weight |
248.326 g/mol |
SMILES |
C12=C(C=CC(=C2)CC(N2CCNCC2)C)OCO1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.927211 |