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2C-pyn bu

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2C-pyn bu
SpectraBase Compound ID DMerwbwuiPN
InChI InChI=1S/C17H25NO2/c1-5-7-10-18-11-9-15-13-16(19-3)14(8-6-2)12-17(15)20-4/h12-13,18H,5,7,9-11H2,1-4H3
InChIKey PPYYFDWYBKSREG-UHFFFAOYSA-N
Mol Weight 275.39 g/mol
Molecular Formula C17H25NO2
Exact Mass 275.188529 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7ShLeOvEXVb
Name 2C-pyn bu
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 275.188529047 u
Formula C17H25NO2
InChI InChI=1S/C17H25NO2/c1-5-7-10-18-11-9-15-13-16(19-3)14(8-6-2)12-17(15)20-4/h12-13,18H,5,7,9-11H2,1-4H3
InChIKey PPYYFDWYBKSREG-UHFFFAOYSA-N
Molecular Weight 275.392 g/mol
SMILES C=1(C(=CC(=C(C1)OC)C#CC)OC)CCNCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.890556