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6-Decyloxynaphthalene-2-carbonitrile

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

6-Decyloxynaphthalene-2-carbonitrile
SpectraBase Compound ID GVFmEX94Err
InChI InChI=1S/C21H27NO/c1-2-3-4-5-6-7-8-9-14-23-21-13-12-19-15-18(17-22)10-11-20(19)16-21/h10-13,15-16H,2-9,14H2,1H3
InChIKey VIHSPNBFGOOLRU-UHFFFAOYSA-N
Mol Weight 309.45 g/mol
Molecular Formula C21H27NO
Exact Mass 309.209264 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DSgIdZZ9bkU
Name 6-Decyloxynaphthalene-2-carbonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 309.209264492 u
Formula C21H27NO
InChI InChI=1S/C21H27NO/c1-2-3-4-5-6-7-8-9-14-23-21-13-12-19-15-18(17-22)10-11-20(19)16-21/h10-13,15-16H,2-9,14H2,1H3
InChIKey VIHSPNBFGOOLRU-UHFFFAOYSA-N
Molecular Weight 309.453 g/mol
SMILES C1=CC(=CC2=C1C=C(OCCCCCCCCCC)C=C2)C#N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.871319