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2-(3-mesityl-1,2,4-oxadiazol-5-yl)acetonitrile

View entire compound with spectra: 2 MS (GC)

2-(3-mesityl-1,2,4-oxadiazol-5-yl)acetonitrile
SpectraBase Compound ID 8e5vjGVjSnA
InChI InChI=1S/C13H13N3O/c1-8-6-9(2)12(10(3)7-8)13-15-11(4-5-14)17-16-13/h6-7H,4H2,1-3H3
InChIKey BKCOVVXKOSGCBF-UHFFFAOYSA-N
Mol Weight 227.27 g/mol
Molecular Formula C13H13N3O
Exact Mass 227.105862 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5XSh6tcdTHY
Name 2-(3-mesityl-1,2,4-oxadiazol-5-yl)acetonitrile
Alternate Name(s) 2-[3-(2,4,6-trimethylphenyl)-1,2,4-oxadiazol-5-yl]acetonitrile 2-[3-(2,4,6-trimethylphenyl)-1,2,4-oxadiazol-5-yl]ethanenitrile
CAS Registry Number 57459-37-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13N3O
InChI InChI=1S/C13H13N3O/c1-8-6-9(2)12(10(3)7-8)13-15-11(4-5-14)17-16-13/h6-7H,4H2,1-3H3
InChIKey BKCOVVXKOSGCBF-UHFFFAOYSA-N
Molecular Weight 227.267 g/mol
SMILES c1(nc(CC#N)on1)-c1c(cc(cc1C)C)C
SPLASH splash10-0532-0900000000-34a194f91d94eddafb81
Source of Spectrum J-41-625-0
Wiley ID 1228630