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4-Methyl-1-phenyl-2-(pyrrolidin-1-yl)pentan-1-one hydrochloride

View entire compound with spectra: 1 Raman

4-Methyl-1-phenyl-2-(pyrrolidin-1-yl)pentan-1-one hydrochloride
SpectraBase Compound ID BPqRDePhash
InChI InChI=1S/C16H23NO.ClH/c1-3-6-15(17-11-4-5-12-17)16(18)14-9-7-13(2)8-10-14;/h7-10,15H,3-6,11-12H2,1-2H3;1H
InChIKey MWRACNBZNVAJHE-UHFFFAOYSA-N
Mol Weight 281.83 g/mol
Molecular Formula C16H24ClNO
Exact Mass 281.154642 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 8n65bwL3AzS
Name 4-Methyl-1-phenyl-2-(pyrrolidin-1-yl)pentan-1-one hydrochloride
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 281.154642096 u
Formula C16H24ClNO
InChI InChI=1S/C16H23NO.ClH/c1-3-6-15(17-11-4-5-12-17)16(18)14-9-7-13(2)8-10-14;/h7-10,15H,3-6,11-12H2,1-2H3;1H
InChIKey MWRACNBZNVAJHE-UHFFFAOYSA-N
Molecular Weight 281.827 g/mol
SMILES Cl.C=1C(=CC=C(C1)C)C(C(CCC)N1CCCC1)=O
Spectrum/Structure Validation Score (Raman) 0.977724