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1-cyanoethyl 4-cyanobenzoate

View entire compound with spectra: 1 MS (GC)

1-cyanoethyl 4-cyanobenzoate
SpectraBase Compound ID 8AtNcQc1I8U
InChI InChI=1S/C11H8N2O2/c1-8(6-12)15-11(14)10-4-2-9(7-13)3-5-10/h2-5,8H,1H3
InChIKey VWBPAXHZCUQDAE-UHFFFAOYSA-N
Mol Weight 200.2 g/mol
Molecular Formula C11H8N2O2
Exact Mass 200.058578 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2CoP6vOx6ul
Name 1-cyanoethyl 4-cyanobenzoate
Alternate Name(s) 4-cyanobenzoic acid 1-cyanoethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H8N2O2
InChI InChI=1S/C11H8N2O2/c1-8(6-12)15-11(14)10-4-2-9(7-13)3-5-10/h2-5,8H,1H3
InChIKey VWBPAXHZCUQDAE-UHFFFAOYSA-N
Molecular Weight 200.197 g/mol
SMILES C(OC(C#N)C)(c1ccc(C#N)cc1)=O
SPLASH splash10-0f89-1900000000-f32987676dc1d6864478
Source of Spectrum AJ-63-1809-18
Wiley ID 1197622