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2-furancarboxamide, 5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-[3-(4-morpholinyl)propyl]-
SpectraBase Compound ID ATlsFysw5AY
InChI InChI=1S/C18H25BrN4O3/c1-13-17(19)14(2)23(21-13)12-15-4-5-16(26-15)18(24)20-6-3-7-22-8-10-25-11-9-22/h4-5H,3,6-12H2,1-2H3,(H,20,24)
InChIKey KYXNBFPTEZEYJP-UHFFFAOYSA-N
Mol Weight 425.33 g/mol
Molecular Formula C18H25BrN4O3
Exact Mass 424.111004 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID If6xIomhq9d
Name 2-Furancarboxamide, 5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-[3-(4-morpholinyl)propyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 424.111003678 u
Formula C18H25BrN4O3
InChI InChI=1S/C18H25BrN4O3/c1-13-17(19)14(2)23(21-13)12-15-4-5-16(26-15)18(24)20-6-3-7-22-8-10-25-11-9-22/h4-5H,3,6-12H2,1-2H3,(H,20,24)
InChIKey KYXNBFPTEZEYJP-UHFFFAOYSA-N
Molecular Weight 425.327 g/mol
SMILES N(CCCN1CCOCC1)C(C=1OC(CN2N=C(C)C(=C2C)Br)=CC1)=O