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2-(4-Bromo-1-phenylpyrazol-5-yl)acetaldehyde dimethyl acetal
SpectraBase Compound ID 8wD5fmdB17X
InChI InChI=1S/C13H15BrN2O2/c1-17-13(18-2)8-12-11(14)9-15-16(12)10-6-4-3-5-7-10/h3-7,9,13H,8H2,1-2H3
InChIKey VNYQTBASZJYTMV-UHFFFAOYSA-N
Mol Weight 311.18 g/mol
Molecular Formula C13H15BrN2O2
Exact Mass 310.031691 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L5F7vwHWzD
Name 2-(4-Bromo-1-phenylpyrazol-5-yl)acetaldehyde dimethyl acetal
Appearance Colorless oil
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Formula C13H15BrN2O2
InChI InChI=1S/C13H15BrN2O2/c1-17-13(18-2)8-12-11(14)9-15-16(12)10-6-4-3-5-7-10/h3-7,9,13H,8H2,1-2H3
InChIKey VNYQTBASZJYTMV-UHFFFAOYSA-N
Instrument Name Finnigan MAT GCQ
Ionization Type EI
Molecular Weight 311.179 g/mol
SMILES c1(c(CC(OC)OC)[n](nc1)-c1ccccc1)Br
SPLASH splash10-014j-0981000000-b13e7086161493b59023
Source of Spectrum CN101652372A
Thin-Layer Chromatography Rf = 0.30 (n-hexane/ethyl acetate, 8:2)
Wiley ID 1841468