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2H-1,2,3,4-Tetrazole-2-acetonitrile, 5-(3-ethoxy-4-methoxyphenyl)-
SpectraBase Compound ID BgNpoYKct1R
InChI InChI=1S/C12H13N5O2/c1-3-19-11-8-9(4-5-10(11)18-2)12-14-16-17(15-12)7-6-13/h4-5,8H,3,7H2,1-2H3
InChIKey XIKYJLAIIMMKKP-UHFFFAOYSA-N
Mol Weight 259.27 g/mol
Molecular Formula C12H13N5O2
Exact Mass 259.106925 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GFuVsnuzXwE
Name 2H-1,2,3,4-Tetrazole-2-acetonitrile, 5-(3-ethoxy-4-methoxyphenyl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13N5O2
InChI InChI=1S/C12H13N5O2/c1-3-19-11-8-9(4-5-10(11)18-2)12-14-16-17(15-12)7-6-13/h4-5,8H,3,7H2,1-2H3
InChIKey XIKYJLAIIMMKKP-UHFFFAOYSA-N
Molecular Weight 259.269 g/mol
SMILES c1(c(ccc(-c2nn[n](CC#N)n2)c1)OC)OCC
SPLASH splash10-0ik9-9820000000-b0638fef5777a6888653
Source of Spectrum IY-1-4378-3
Synonyms 2-[5-(3-ethoxy-4-methoxyphenyl)-2-tetrazolyl]acetonitrile 2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]acetonitrile 2-[5-(3-ethoxy-4-methoxy-phenyl)-1,2,3,4-tetrazol-2-yl]ethanenitrile
Wiley ID 1651766