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5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(tert-butyl)-2-furamide

View entire compound with spectra: 3 NMR

5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(tert-butyl)-2-furamide
SpectraBase Compound ID AanSK0EU4yK
InChI InChI=1S/C15H20BrN3O2/c1-9-13(16)10(2)19(18-9)8-11-6-7-12(21-11)14(20)17-15(3,4)5/h6-7H,8H2,1-5H3,(H,17,20)
InChIKey ORAPBDKNXVSWCU-UHFFFAOYSA-N
Mol Weight 354.25 g/mol
Molecular Formula C15H20BrN3O2
Exact Mass 353.07389 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JLpQa6fFCo5
Name 5-[(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(tert-butyl)-2-furamide
Comments Computed using HOSE algorithm
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Exact Mass 353.073889894 u
Formula C15H20BrN3O2
InChI InChI=1S/C15H20BrN3O2/c1-9-13(16)10(2)19(18-9)8-11-6-7-12(21-11)14(20)17-15(3,4)5/h6-7H,8H2,1-5H3,(H,17,20)
InChIKey ORAPBDKNXVSWCU-UHFFFAOYSA-N
Molecular Weight 354.248 g/mol
SMILES N(C(C=1OC(CN2N=C(C)C(=C2C)Br)=CC1)=O)C(C)(C)C