SpectraBase Spectrum ID |
Gkm8WgC8Pv2 |
Name |
Piperazine, 1-N-propyl-4-[4-phenbutyl]- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
260.225248910 u |
Formula |
C17H28N2 |
InChI |
InChI=1S/C17H28N2/c1-2-11-18-13-15-19(16-14-18)12-7-6-10-17-8-4-3-5-9-17/h3-5,8-9H,2,6-7,10-16H2,1H3 |
InChIKey |
GDTCXYGHSVAJRK-UHFFFAOYSA-N |
Molecular Weight |
260.425 g/mol |
SMILES |
C1=C(C=CC=C1)CCCCN1CCN(CCC)CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.978645 |