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5-Apdi pent
SpectraBase Compound ID B6glMI9EYbL
InChI InChI=1S/C17H25NO/c1-3-4-8-17(19)18-13(2)11-14-9-10-15-6-5-7-16(15)12-14/h9-10,12-13H,3-8,11H2,1-2H3,(H,18,19)
InChIKey KTJZDDGUPJHULV-UHFFFAOYSA-N
Mol Weight 259.39 g/mol
Molecular Formula C17H25NO
Exact Mass 259.193614 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9CH365TBad8
Name 5-Apdi pent
Comments Computed using SmartSpectra Model v1.42
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Exact Mass 259.193614428 u
Formula C17H25NO
InChI InChI=1S/C17H25NO/c1-3-4-8-17(19)18-13(2)11-14-9-10-15-6-5-7-16(15)12-14/h9-10,12-13H,3-8,11H2,1-2H3,(H,18,19)
InChIKey KTJZDDGUPJHULV-UHFFFAOYSA-N
Molecular Weight 259.393 g/mol
SMILES C1=2C(=CC(CC(NC(CCCC)=O)C)=CC2)CCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.911585