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3-{[5,7,7-trimethyl-2-(1,3,3-trimethylbutyl)octyl]oxy}propionitrile

View entire compound with spectra: 1 NMR, and 1 FTIR

3-{[5,7,7-trimethyl-2-(1,3,3-trimethylbutyl)octyl]oxy}propionitrile
SpectraBase Compound ID BUSgdc4aEjM
InChI InChI=1S/C21H41NO/c1-17(14-20(3,4)5)10-11-19(16-23-13-9-12-22)18(2)15-21(6,7)8/h17-19H,9-11,13-16H2,1-8H3
InChIKey YFMMVMZQWAPHQQ-UHFFFAOYSA-N
Mol Weight 323.6 g/mol
Molecular Formula C21H41NO
Exact Mass 323.318815 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 5KIS2V8eCpS
Name 3-{[5,7,7-TRIMETHYL-2-(1,3,3-TRIMETHYLBUTYL)OCTYL]OXY}PROPIONITRILE
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Catalog Number S58302
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H41NO
InChI InChI=1S/C21H41NO/c1-17(14-20(3,4)5)10-11-19(16-23-13-9-12-22)18(2)15-21(6,7)8/h17-19H,9-11,13-16H2,1-8H3
InChIKey YFMMVMZQWAPHQQ-UHFFFAOYSA-N
Molecular Weight 323.565002
Synonyms PROPIONITRILE, 3-//5,7,7-TRIMETHYL- 2-/1,3,3-TRIMETHYLBUTYL/OCTYL/OXY/-,
Technique CAPILLARY CELL: NEAT