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1-(2,4-Cyclohexadienyl)-2-phthalimidoethane

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

1-(2,4-Cyclohexadienyl)-2-phthalimidoethane
SpectraBase Compound ID LJYplvyPMfy
InChI InChI=1S/C16H15NO2/c18-15-13-8-4-5-9-14(13)16(19)17(15)11-10-12-6-2-1-3-7-12/h1-6,8-9,12H,7,10-11H2
InChIKey IMPAWMSYCIZCIC-UHFFFAOYSA-N
Mol Weight 253.3 g/mol
Molecular Formula C16H15NO2
Exact Mass 253.110279 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CDgQqyYclRn
Name 1-(2,4-Cyclohexadienyl)-2-phthalimidoethane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 253.110278725 u
Formula C16H15NO2
InChI InChI=1S/C16H15NO2/c18-15-13-8-4-5-9-14(13)16(19)17(15)11-10-12-6-2-1-3-7-12/h1-6,8-9,12H,7,10-11H2
InChIKey IMPAWMSYCIZCIC-UHFFFAOYSA-N
Molecular Weight 253.301 g/mol
SMILES C1(N(C(C2=CC=CC=C12)=O)CCC1C=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.957818