SpectraBase Spectrum ID |
8fNbtU4u3aF |
Name |
α-Pyrrolidinobutiophenone hydrochloride |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
253.123341967 u |
Formula |
C14H20ClNO |
InChI |
InChI=1S/C14H19NO.ClH/c1-2-13(15-10-6-7-11-15)14(16)12-8-4-3-5-9-12;/h3-5,8-9,13H,2,6-7,10-11H2,1H3;1H |
InChIKey |
AZVCJCIUXDFJMO-UHFFFAOYSA-N |
Molecular Weight |
253.773 g/mol |
SMILES |
Cl.C1=CC=CC(=C1)C(C(CC)N1CCCC1)=O |
Spectrum/Structure Validation Score (Raman) |
0.989378 |