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3,3-Pentamethylene-1,4-diphenylazetidin-2-one

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

3,3-Pentamethylene-1,4-diphenylazetidin-2-one
SpectraBase Compound ID 61YQC50U2rs
InChI InChI=1S/C20H21NO/c22-19-20(14-8-3-9-15-20)18(16-10-4-1-5-11-16)21(19)17-12-6-2-7-13-17/h1-2,4-7,10-13,18H,3,8-9,14-15H2
InChIKey AEIVOTLFPKAXOZ-UHFFFAOYSA-N
Mol Weight 291.39 g/mol
Molecular Formula C20H21NO
Exact Mass 291.162314 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GBKvoEAR0Fe
Name 3,3-Pentamethylene-1,4-diphenylazetidin-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 291.162314299 u
Formula C20H21NO
InChI InChI=1S/C20H21NO/c22-19-20(14-8-3-9-15-20)18(16-10-4-1-5-11-16)21(19)17-12-6-2-7-13-17/h1-2,4-7,10-13,18H,3,8-9,14-15H2
InChIKey AEIVOTLFPKAXOZ-UHFFFAOYSA-N
SMILES C1(C2(C(N1C1=CC=CC=C1)=O)CCCCC2)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.888401