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2,5-Dithio-1-(3-methoxypropyl)-6-(3,3,5-trimethylcyclohexyl)biurea

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2,5-Dithio-1-(3-methoxypropyl)-6-(3,3,5-trimethylcyclohexyl)biurea
SpectraBase Compound ID H7qhWE1Is7s
InChI InChI=1S/C15H30N4OS2/c1-11-8-12(10-15(2,3)9-11)17-14(22)19-18-13(21)16-6-5-7-20-4/h11-12H,5-10H2,1-4H3,(H2,16,18,21)(H2,17,19,22)
InChIKey ULVHPRJHHMPYBU-UHFFFAOYSA-N
Mol Weight 346.55 g/mol
Molecular Formula C15H30N4OS2
Exact Mass 346.186104 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4Y59opfb6GD
Name 2,5-Dithio-1-(3-methoxypropyl)-6-(3,3,5-trimethylcyclohexyl)biurea
Comments Computed using HOSE algorithm
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Exact Mass 346.186103949 u
Formula C15H30N4OS2
InChI InChI=1S/C15H30N4OS2/c1-11-8-12(10-15(2,3)9-11)17-14(22)19-18-13(21)16-6-5-7-20-4/h11-12H,5-10H2,1-4H3,(H2,16,18,21)(H2,17,19,22)
InChIKey ULVHPRJHHMPYBU-UHFFFAOYSA-N
Molecular Weight 346.552 g/mol
SMILES N(C1CC(CC(C1)C)(C)C)C(=S)NNC(NCCCOC)=S