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

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

4-(5-Propyl-1,3-dioxan-2-yl)benzonitrile
SpectraBase Compound ID 1SgX7SwYOjP
InChI InChI=1S/C14H17NO2/c1-2-3-12-9-16-14(17-10-12)13-6-4-11(8-15)5-7-13/h4-7,12,14H,2-3,9-10H2,1H3
InChIKey GQPFCPRCGONDNN-UHFFFAOYSA-N
Mol Weight 231.29 g/mol
Molecular Formula C14H17NO2
Exact Mass 231.125929 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID HUBGMB1wBJ9
Name 2-(4-Cyanophenyl)-5-n-propyl-1,3-dioxane
Source of Sample Alfa Aesar, Thermo Fisher Scientific
Catalog Number B22722
Lot Number G6779A
CAS Registry Number 80285-16-1
Color Properties White
Copyright Copyright © 2016-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17NO2
InChI InChI=1S/C14H17NO2/c1-2-3-12-9-16-14(17-10-12)13-6-4-11(8-15)5-7-13/h4-7,12,14H,2-3,9-10H2,1H3
InChIKey GQPFCPRCGONDNN-UHFFFAOYSA-N
Instrument Name Bruker Tensor 27 FT-IR
Molecular Weight 231.294 g/mol
Physical State Solid
Purity 99+%
Sample Type Organic
Source of Spectrum Bio-Rad Laboratories, Inc.
Synonyms 4-(5-Propyl-1,3-dioxan-2-yl)benzonitrile
Technique ATR-Neat (DuraSamplIR II)