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Benzyl 2-(1H-Tetrazol-5-yl)-2-cyanoacetate
SpectraBase Compound ID HWU6JC0a5u4
InChI InChI=1S/C11H9N5O2/c12-6-9(10-13-15-16-14-10)11(17)18-7-8-4-2-1-3-5-8/h1-5,9H,7H2,(H,13,14,15,16)
InChIKey NMKSNOSEAMUTEK-UHFFFAOYSA-N
Mol Weight 243.23 g/mol
Molecular Formula C11H9N5O2
Exact Mass 243.075625 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Cjub3sevXH
Name Benzyl 2-(1H-Tetrazol-5-yl)-2-cyanoacetate
Alternate Name(s) benzyl cyano(1H-tetraazol-5-yl)acetate
Comments Less than 3 mono-isotopic peaks
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Formula C11H9N5O2
InChI InChI=1S/C11H9N5O2/c12-6-9(10-13-15-16-14-10)11(17)18-7-8-4-2-1-3-5-8/h1-5,9H,7H2,(H,13,14,15,16)
InChIKey NMKSNOSEAMUTEK-UHFFFAOYSA-N
Molecular Weight 243.226 g/mol
SMILES [nH]1c(nnn1)C(C(=O)OCc1ccccc1)C#N
SPLASH splash10-0006-9000000000-fbce1fd4f216cf5e77ab
Source of Spectrum SO-0-874-3
Wiley ID 1544412