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4-Ethoxy-4-methoxy-2-phenylthiobutanenitrile

View entire compound with spectra: 1 MS (GC)

4-Ethoxy-4-methoxy-2-phenylthiobutanenitrile
SpectraBase Compound ID 7HXzRwiKH7e
InChI InChI=1S/C13H17NO2S/c1-3-16-13(15-2)9-12(10-14)17-11-7-5-4-6-8-11/h4-8,12-13H,3,9H2,1-2H3
InChIKey FDTMHCHCMUXTRW-UHFFFAOYSA-N
Mol Weight 251.34 g/mol
Molecular Formula C13H17NO2S
Exact Mass 251.098 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 14tW2sEJQM5
Name 4-Ethoxy-4-methoxy-2-phenylthiobutanenitrile
Alternate Name(s) 4-Ethoxy-4-methoxy-2-(phenylsulfanyl)butanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NO2S
InChI InChI=1S/C13H17NO2S/c1-3-16-13(15-2)9-12(10-14)17-11-7-5-4-6-8-11/h4-8,12-13H,3,9H2,1-2H3
InChIKey FDTMHCHCMUXTRW-UHFFFAOYSA-N
Molecular Weight 251.344 g/mol
SMILES C(#N)C(CC(OC)OCC)Sc1ccccc1
SPLASH splash10-08mi-4940000000-e080911b02a4a25d1ec8
Source of Spectrum QA-41-809-10
Wiley ID 861883