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1-[(4-Pyridyl)methyl]-2-thio-3-(2,3,3-trimethyl-2-norbornyl)urea

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1-[(4-Pyridyl)methyl]-2-thio-3-(2,3,3-trimethyl-2-norbornyl)urea
SpectraBase Compound ID FSeeHj17h3x
InChI InChI=1S/C17H25N3S/c1-16(2)13-4-5-14(10-13)17(16,3)20-15(21)19-11-12-6-8-18-9-7-12/h6-9,13-14H,4-5,10-11H2,1-3H3,(H2,19,20,21)
InChIKey NKPLMJLYPIHQHU-UHFFFAOYSA-N
Mol Weight 303.47 g/mol
Molecular Formula C17H25N3S
Exact Mass 303.176919 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7yBXWUPgpFY
Name 1-[(4-Pyridyl)methyl]-2-thio-3-(2,3,3-trimethyl-2-norbornyl)urea
Comments Computed using HOSE algorithm
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Exact Mass 303.176918991 u
Formula C17H25N3S
InChI InChI=1S/C17H25N3S/c1-16(2)13-4-5-14(10-13)17(16,3)20-15(21)19-11-12-6-8-18-9-7-12/h6-9,13-14H,4-5,10-11H2,1-3H3,(H2,19,20,21)
InChIKey NKPLMJLYPIHQHU-UHFFFAOYSA-N
Molecular Weight 303.468 g/mol
SMILES N(C1(C(C2CCC1C2)(C)C)C)C(NCC=1C=CN=CC1)=S