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4-(2-Chloroethyl)-1-isopropyl-3-methyl-3-phenyl-2-pyrrolidinone

View entire compound with spectra: 1 NMR, 2 FTIR, and 1 Raman

4-(2-Chloroethyl)-1-isopropyl-3-methyl-3-phenyl-2-pyrrolidinone
SpectraBase Compound ID 5snTIaTX356
InChI InChI=1S/C16H22ClNO/c1-12(2)18-11-14(9-10-17)16(3,15(18)19)13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3
InChIKey NKKMGAXCPLKKCJ-UHFFFAOYSA-N
Mol Weight 279.81 g/mol
Molecular Formula C16H22ClNO
Exact Mass 279.138992 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID BaQD3CyXPKL
Name 4-(2-Chloroethyl)-1-isopropyl-3-methyl-3-phenyl-2-pyrrolidinone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 279.138992031 u
Formula C16H22ClNO
InChI InChI=1S/C16H22ClNO/c1-12(2)18-11-14(9-10-17)16(3,15(18)19)13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3
InChIKey NKKMGAXCPLKKCJ-UHFFFAOYSA-N
SMILES C1N(C(C(C1CCCl)(C=1C=CC=CC1)C)=O)C(C)C
Spectrum/Structure Validation Score (Raman) 0.994412