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1-(3,5-dimethyladamantan-1-yl)-3-(p-tolylsulfonyl)urea

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1-(3,5-dimethyladamantan-1-yl)-3-(p-tolylsulfonyl)urea
SpectraBase Compound ID InKGsKOLGgR
InChI InChI=1S/C20H28N2O3S/c1-14-4-6-16(7-5-14)26(24,25)22-17(23)21-20-10-15-8-18(2,12-20)11-19(3,9-15)13-20/h4-7,15H,8-13H2,1-3H3,(H2,21,22,23)/t15-,18+,19-,20-
InChIKey ZTZYALOIIVHPPV-DAILNLJWSA-N
Mol Weight 376.52 g/mol
Molecular Formula C20H28N2O3S
Exact Mass 376.182064 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ClgGIzT7Oo4
Name 1-(3,5-dimethyladamantan-1-yl)-3-(p-tolylsulfonyl)urea
Source of Sample K. Gerzon, Lilly Research Laboratories, Indianapolis, Indiana
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Formula C20H28N2O3S
InChI InChI=1S/C20H28N2O3S/c1-14-4-6-16(7-5-14)26(24,25)22-17(23)21-20-10-15-8-18(2,12-20)11-19(3,9-15)13-20/h4-7,15H,8-13H2,1-3H3,(H2,21,22,23)/t15-,18+,19-,20-
InChIKey ZTZYALOIIVHPPV-DAILNLJWSA-N
Instrument Name Varian A-60
Sadtler NMR Number 2909M
Solvent CDCl3
Synonyms UREA, 1-/3,5-DIMETHYLADAMANTAN- 1-YL/-3-/P-TOLYLSULFONYL/-,