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5-Apdi prop

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

5-Apdi prop
SpectraBase Compound ID KDIFXiPIsV
InChI InChI=1S/C15H21NO/c1-3-15(17)16-11(2)9-12-7-8-13-5-4-6-14(13)10-12/h7-8,10-11H,3-6,9H2,1-2H3,(H,16,17)
InChIKey SCXFBMUXKDTDLG-UHFFFAOYSA-N
Mol Weight 231.34 g/mol
Molecular Formula C15H21NO
Exact Mass 231.162314 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BtxmrZg5uOU
Name 5-Apdi prop
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 231.162314299 u
Formula C15H21NO
InChI InChI=1S/C15H21NO/c1-3-15(17)16-11(2)9-12-7-8-13-5-4-6-14(13)10-12/h7-8,10-11H,3-6,9H2,1-2H3,(H,16,17)
InChIKey SCXFBMUXKDTDLG-UHFFFAOYSA-N
Molecular Weight 231.339 g/mol
SMILES C1=2C(=CC(CC(NC(CC)=O)C)=CC2)CCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.928637