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2-Phenyl-2-[cyanoethyl]-1,5-dioxacycloheptane
SpectraBase Compound ID HERGaKOZata
InChI InChI=1S/C14H17NO2/c15-9-4-7-14(8-10-16-11-12-17-14)13-5-2-1-3-6-13/h1-3,5-6H,4,7-8,10-12H2
InChIKey VZHHLRGFECXFNU-UHFFFAOYSA-N
Mol Weight 231.29 g/mol
Molecular Formula C14H17NO2
Exact Mass 231.125929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K1q1oDq6wU6
Name 2-Phenyl-2-[cyanoethyl]-1,5-dioxacycloheptane
Alternate Name(s) 3-(5-phenyl-1,4-dioxepan-5-yl)propanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17NO2
InChI InChI=1S/C14H17NO2/c15-9-4-7-14(8-10-16-11-12-17-14)13-5-2-1-3-6-13/h1-3,5-6H,4,7-8,10-12H2
InChIKey VZHHLRGFECXFNU-UHFFFAOYSA-N
Molecular Weight 231.295 g/mol
SMILES C(#N)CCC1(OCCOCC1)c1ccccc1
SPLASH splash10-0002-1900000000-d1574d75f01f15017887
Source of Spectrum QF-41-1291-0
Wiley ID 832753