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1-(6-Amino-1,3-benzodioxol-5-yl)-3-phenyl-1-propanone

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

1-(6-Amino-1,3-benzodioxol-5-yl)-3-phenyl-1-propanone
SpectraBase Compound ID CaNkJHZkbgs
InChI InChI=1S/C16H15NO3/c17-13-9-16-15(19-10-20-16)8-12(13)14(18)7-6-11-4-2-1-3-5-11/h1-5,8-9H,6-7,10,17H2
InChIKey DYWYHIMJJJELML-UHFFFAOYSA-N
Mol Weight 269.3 g/mol
Molecular Formula C16H15NO3
Exact Mass 269.105193 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FomgtlfApBJ
Name 1-(6-Amino-1,3-benzodioxol-5-yl)-3-phenyl-1-propanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 269.105193344 u
Formula C16H15NO3
InChI InChI=1S/C16H15NO3/c17-13-9-16-15(19-10-20-16)8-12(13)14(18)7-6-11-4-2-1-3-5-11/h1-5,8-9H,6-7,10,17H2
InChIKey DYWYHIMJJJELML-UHFFFAOYSA-N
Molecular Weight 269.300 g/mol
SMILES C(CCC=1C=CC=CC1)(=O)C=1C=C2OCOC2=CC1N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.901415