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Azabuperone

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

Azabuperone
SpectraBase Compound ID CvJD9Y6asxq
InChI InChI=1S/C17H23FN2O/c18-15-7-5-14(6-8-15)17(21)4-2-9-19-11-12-20-10-1-3-16(20)13-19/h5-8,16H,1-4,9-13H2
InChIKey PQLYZHNINGGVMB-UHFFFAOYSA-N
Mol Weight 290.38 g/mol
Molecular Formula C17H23FN2O
Exact Mass 290.179442 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HFoOuOwc5G2
Name Azabuperone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 290.179441531 u
Formula C17H23FN2O
InChI InChI=1S/C17H23FN2O/c18-15-7-5-14(6-8-15)17(21)4-2-9-19-11-12-20-10-1-3-16(20)13-19/h5-8,16H,1-4,9-13H2
InChIKey PQLYZHNINGGVMB-UHFFFAOYSA-N
Molecular Weight 290.382 g/mol
SMILES C1(F)=CC=C(C=C1)C(CCCN1CCN2C(C1)CCC2)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.894349