SpectraBase Spectrum ID |
CR1cQqR2BS8 |
Name |
N-[5-(3-Methylpiperidino)pentyl]phthalimide, hydrochloride |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
350.176105815 u |
Formula |
C19H27ClN2O2 |
InChI |
InChI=1S/C19H26N2O2.ClH/c1-15-8-7-12-20(14-15)11-5-2-6-13-21-18(22)16-9-3-4-10-17(16)19(21)23;/h3-4,9-10,15H,2,5-8,11-14H2,1H3;1H |
InChIKey |
XMQHFXHYBOSLIO-UHFFFAOYSA-N |
Molecular Weight |
350.890 g/mol |
SMILES |
C(CCCCN1C(C2=C(C=CC=C2)C1=O)=O)N1CCCC(C1)C.Cl |
Spectrum/Structure Validation Score (Raman) |
0.938936 |