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1-Acetylamino-2-(acetylamino)methyl-3,3-diphenylcyclopentene

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

1-Acetylamino-2-(acetylamino)methyl-3,3-diphenylcyclopentene
SpectraBase Compound ID 8GeV60xIMC5
InChI InChI=1S/C22H24N2O2/c1-16(25)23-15-20-21(24-17(2)26)13-14-22(20,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12H,13-15H2,1-2H3,(H,23,25)(H,24,26)
InChIKey XGFPBBQUWDIPGT-UHFFFAOYSA-N
Mol Weight 348.45 g/mol
Molecular Formula C22H24N2O2
Exact Mass 348.183778 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FzqbJq42EX3
Name 1-Acetylamino-2-(acetylamino)methyl-3,3-diphenylcyclopentene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 348.183778019 u
Formula C22H24N2O2
InChI InChI=1S/C22H24N2O2/c1-16(25)23-15-20-21(24-17(2)26)13-14-22(20,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12H,13-15H2,1-2H3,(H,23,25)(H,24,26)
InChIKey XGFPBBQUWDIPGT-UHFFFAOYSA-N
Molecular Weight 348.446 g/mol
SMILES C1(=C(C(CC1)(C=1C=CC=CC1)C=1C=CC=CC1)CNC(=O)C)NC(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.898926