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N-Benzyl-3-chloro-4-bromomethyl-3-isopropylpyrrolidin-2-one

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

N-Benzyl-3-chloro-4-bromomethyl-3-isopropylpyrrolidin-2-one
SpectraBase Compound ID GhFWVWpF7G2
InChI InChI=1S/C15H19BrClNO/c1-11(2)15(17)13(8-16)10-18(14(15)19)9-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3
InChIKey OLVBJIVTEIDYHE-UHFFFAOYSA-N
Mol Weight 344.68 g/mol
Molecular Formula C15H19BrClNO
Exact Mass 343.033855 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9WDAdEiNGvS
Name N-Benzyl-3-chloro-4-bromomethyl-3-isopropylpyrrolidin-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 343.033854935 u
Formula C15H19BrClNO
InChI InChI=1S/C15H19BrClNO/c1-11(2)15(17)13(8-16)10-18(14(15)19)9-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3
InChIKey OLVBJIVTEIDYHE-UHFFFAOYSA-N
Molecular Weight 344.680 g/mol
SMILES C1(N(CC(C1(Cl)C(C)C)CBr)CC=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.816717