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

View entire compound with spectra: 2 NMR

N-(2-adamantyl)-5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furamide
SpectraBase Compound ID FfEylD8LTYN
InChI InChI=1S/C21H26BrN3O2/c1-11-19(22)12(2)25(24-11)10-17-3-4-18(27-17)21(26)23-20-15-6-13-5-14(8-15)9-16(20)7-13/h3-4,13-16,20H,5-10H2,1-2H3,(H,23,26)/t13-,14+,15-,16+,20?
InChIKey QZWBRACYOPBUKD-KQQORJBFSA-N
Mol Weight 432.36 g/mol
Molecular Formula C21H26BrN3O2
Exact Mass 431.12084 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID An4o5ofADvQ
Name N-(2-Adamantyl)-5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furamide
Comments Computed using HOSE algorithm
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Exact Mass 431.120840087 u
Formula C21H26BrN3O2
InChI InChI=1S/C21H26BrN3O2/c1-11-19(22)12(2)25(24-11)10-17-3-4-18(27-17)21(26)23-20-15-6-13-5-14(8-15)9-16(20)7-13/h3-4,13-16,20H,5-10H2,1-2H3,(H,23,26)/t13-,14+,15-,16+,20?
InChIKey QZWBRACYOPBUKD-KQQORJBFSA-N
Molecular Weight 432.362 g/mol
SMILES N(C1[C@]2(C[C@]3(C[C@@]1(C[C@@](C2)(C3)[H])[H])[H])[H])C(C=1OC(CN2N=C(C)C(=C2C)Br)=CC1)=O