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5-(4-Acetamidophenyl)-4-isopropyltropolone

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

5-(4-Acetamidophenyl)-4-isopropyltropolone
SpectraBase Compound ID 2Qzu4nUGhih
InChI InChI=1S/C18H19NO3/c1-11(2)16-10-18(22)17(21)9-8-15(16)13-4-6-14(7-5-13)19-12(3)20/h4-11H,1-3H3,(H,19,20)(H,21,22)
InChIKey KWMKGVCEPYBPGY-UHFFFAOYSA-N
Mol Weight 297.35 g/mol
Molecular Formula C18H19NO3
Exact Mass 297.136493 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2TYF4Kuuut7
Name 5-(4-Acetamidophenyl)-4-isopropyltropolone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 297.136493473 u
Formula C18H19NO3
InChI InChI=1S/C18H19NO3/c1-11(2)16-10-18(22)17(21)9-8-15(16)13-4-6-14(7-5-13)19-12(3)20/h4-11H,1-3H3,(H,19,20)(H,21,22)
InChIKey KWMKGVCEPYBPGY-UHFFFAOYSA-N
SMILES C1(=C(C=CC(C(=C1)O)=O)C1=CC=C(NC(=O)C)C=C1)C(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.801236