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

View entire compound with spectra: 2 NMR

N-(2-adamantyl)-5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furamide
SpectraBase Compound ID 31iQBntRZzF
InChI InChI=1S/C21H27N3O2/c1-12-5-13(2)24(23-12)11-18-3-4-19(26-18)21(25)22-20-16-7-14-6-15(9-16)10-17(20)8-14/h3-5,14-17,20H,6-11H2,1-2H3,(H,22,25)/t14-,15+,16-,17+,20?
InChIKey ICXXIHXWECWPBW-YMSSVPQNSA-N
Mol Weight 353.47 g/mol
Molecular Formula C21H27N3O2
Exact Mass 353.210327 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Xm7wKu7Cek
Name N-(2-Adamantyl)-5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 353.210327119 u
Formula C21H27N3O2
InChI InChI=1S/C21H27N3O2/c1-12-5-13(2)24(23-12)11-18-3-4-19(26-18)21(25)22-20-16-7-14-6-15(9-16)10-17(20)8-14/h3-5,14-17,20H,6-11H2,1-2H3,(H,22,25)/t14-,15+,16-,17+,20?
InChIKey ICXXIHXWECWPBW-YMSSVPQNSA-N
Molecular Weight 353.466 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)=CC1)=O