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2H-1,2,3,4-Tetrazole-2-pentanenitrile, 5-(4-chlorophenyl)-
SpectraBase Compound ID FH1QE9DJ7ro
InChI InChI=1S/C12H12ClN5/c13-11-6-4-10(5-7-11)12-15-17-18(16-12)9-3-1-2-8-14/h4-7H,1-3,9H2
InChIKey UVBJHIJPTGBDAA-UHFFFAOYSA-N
Mol Weight 261.72 g/mol
Molecular Formula C12H12ClN5
Exact Mass 261.078123 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3CK3cwpqtll
Name 2H-1,2,3,4-Tetrazole-2-pentanenitrile, 5-(4-chlorophenyl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12ClN5
InChI InChI=1S/C12H12ClN5/c13-11-6-4-10(5-7-11)12-15-17-18(16-12)9-3-1-2-8-14/h4-7H,1-3,9H2
InChIKey UVBJHIJPTGBDAA-UHFFFAOYSA-N
Molecular Weight 261.716 g/mol
SMILES C(CCCC[n]1nnc(n1)-c1ccc(cc1)Cl)#N
SPLASH splash10-000l-9710000000-e742d2b59c578b3f89b6
Source of Spectrum IY-1-4440-4
Synonyms 5-[5-(4-chlorophenyl)-2-tetrazolyl]pentanenitrile 5-[5-(4-chlorophenyl)tetrazol-2-yl]pentanenitrile 5-[5-(4-chlorophenyl)-1,2,3,4-tetrazol-2-yl]pentanenitrile
Wiley ID 1652387