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5-Phenyl-7-(trichloromethyl)tetrazolo[1,5-a]pyrimidine
SpectraBase Compound ID 3oUKEf964Oy
InChI InChI=1S/C11H6Cl3N5/c12-11(13,14)9-6-8(7-4-2-1-3-5-7)15-10-16-17-18-19(9)10/h1-6H
InChIKey VSFJEKPWDYFJEO-UHFFFAOYSA-N
Mol Weight 314.56 g/mol
Molecular Formula C11H6Cl3N5
Exact Mass 312.968878 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 43FVhYZX6Zg
Name 5-Phenyl-7-(trichloromethyl)tetrazolo[1,5-a]pyrimidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H6Cl3N5
InChI InChI=1S/C11H6Cl3N5/c12-11(13,14)9-6-8(7-4-2-1-3-5-7)15-10-16-17-18-19(9)10/h1-6H
InChIKey VSFJEKPWDYFJEO-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.13.237
Molecular Weight 314.563 g/mol
SMILES c1(ccccc1)C1=Nc2[n](C(=C1)C(Cl)(Cl)Cl)nnn2
SPLASH splash10-0udi-3292000000-3000f33f29b1c783ddf2
Source of Spectrum BJO-13-SM3-6h
Wiley ID 1848297