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N-Benzyl-3-chloro-4-chloromethyl-5-methylpyrrolidin-2-one

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

N-Benzyl-3-chloro-4-chloromethyl-5-methylpyrrolidin-2-one
SpectraBase Compound ID 1dSsuUZl1eD
InChI InChI=1S/C13H15Cl2NO/c1-9-11(7-14)12(15)13(17)16(9)8-10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3
InChIKey KPZPHOGRUBFIKD-UHFFFAOYSA-N
Mol Weight 272.18 g/mol
Molecular Formula C13H15Cl2NO
Exact Mass 271.05307 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3pSqxA8fbyJ
Name N-Benzyl-3-chloro-4-chloromethyl-5-methylpyrrolidin-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 271.053069506 u
Formula C13H15Cl2NO
InChI InChI=1S/C13H15Cl2NO/c1-9-11(7-14)12(15)13(17)16(9)8-10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3
InChIKey KPZPHOGRUBFIKD-UHFFFAOYSA-N
SMILES C1(N(C(C(C1Cl)CCl)C)CC=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.903395