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3-(2-Bromopropan-2-yl)-5-chloro-1-benzylpyrazole
SpectraBase Compound ID A9gQEs1sUKc
InChI InChI=1S/C13H14BrClN2/c1-13(2,14)11-8-12(15)17(16-11)9-10-6-4-3-5-7-10/h3-8H,9H2,1-2H3
InChIKey SVTNKSMQFKAUMA-UHFFFAOYSA-N
Mol Weight 313.63 g/mol
Molecular Formula C13H14BrClN2
Exact Mass 312.002889 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7xjIbLaL7DL
Name 3-(2-Bromopropan-2-yl)-5-chloro-1-benzylpyrazole
Comments Less than 3 mono-isotopic peaks
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Formula C13H14BrClN2
InChI InChI=1S/C13H14BrClN2/c1-13(2,14)11-8-12(15)17(16-11)9-10-6-4-3-5-7-10/h3-8H,9H2,1-2H3
InChIKey SVTNKSMQFKAUMA-UHFFFAOYSA-N
Molecular Weight 313.626 g/mol
SMILES c1(n[n](c(c1)Cl)Cc1ccccc1)C(Br)(C)C
SPLASH splash10-014i-0090000000-2a9f00efcde8b28f3768
Source of Spectrum F-67-1849-4j
Wiley ID 1685893