SpectraBase Spectrum ID |
Iq6Fd6qXDYy |
Name |
Piperazine, 1-N-propyl-4-[3-phenpropyl]- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
246.209598845 u |
Formula |
C16H26N2 |
InChI |
InChI=1S/C16H26N2/c1-2-10-17-12-14-18(15-13-17)11-6-9-16-7-4-3-5-8-16/h3-5,7-8H,2,6,9-15H2,1H3 |
InChIKey |
ZRKYRYNQLKWMNC-UHFFFAOYSA-N |
Molecular Weight |
246.398 g/mol |
SMILES |
C1=C(C=CC=C1)CCCN1CCN(CCC)CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.980758 |