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4-(5-Pentyl-1,3-dioxan-2-yl)benzonitrile

View entire compound with spectra: 2 FTIR, 1 Raman, and 3 MS (GC)

4-(5-Pentyl-1,3-dioxan-2-yl)benzonitrile
SpectraBase Compound ID 7NyPDBuw05z
InChI InChI=1S/C16H21NO2/c1-2-3-4-5-14-11-18-16(19-12-14)15-8-6-13(10-17)7-9-15/h6-9,14,16H,2-5,11-12H2,1H3
InChIKey SSXIKUCDZOQOKB-UHFFFAOYSA-N
Mol Weight 259.35 g/mol
Molecular Formula C16H21NO2
Exact Mass 259.157229 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID SHwOnvK1z6
Name 2-(4-Cyanophenyl)-5-n-pentyl-1,3-dioxane
Source of Sample Alfa Aesar, Thermo Fisher Scientific
Catalog Number B22466
Lot Number G6667A
CAS Registry Number 74800-62-7
Copyright Copyright © 2016-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21NO2
InChI InChI=1S/C16H21NO2/c1-2-3-4-5-14-11-18-16(19-12-14)15-8-6-13(10-17)7-9-15/h6-9,14,16H,2-5,11-12H2,1H3
InChIKey SSXIKUCDZOQOKB-UHFFFAOYSA-N
Instrument Name Bruker Tensor 27 FT-IR
Molecular Weight 259.348 g/mol
Physical State Solid
Purity 99+%
Sample Type Organic
Source of Spectrum Bio-Rad Laboratories, Inc.
Synonyms 4-(5-Pentyl-1,3-dioxan-2-yl)benzonitrile
Technique ATR-Neat (DuraSamplIR II)