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N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)carbamic acid tert-butyl ester
SpectraBase Compound ID I8I90Md5mTF
InChI InChI=1S/C16H21N3O3/c1-11-13(17-15(21)22-16(2,3)4)14(20)19(18(11)5)12-9-7-6-8-10-12/h6-10H,1-5H3,(H,17,21)
InChIKey RIJKTPFDFMVNTM-UHFFFAOYSA-N
Mol Weight 303.36 g/mol
Molecular Formula C16H21N3O3
Exact Mass 303.158292 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AaYl6el7eUE
Name N-(1,5-Dimethyl-3-oxo-2-phenyl-4-pyrazolyl)carbamic acid tert-butyl ester
Comments Computed using HOSE algorithm
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Exact Mass 303.158291545 u
Formula C16H21N3O3
InChI InChI=1S/C16H21N3O3/c1-11-13(17-15(21)22-16(2,3)4)14(20)19(18(11)5)12-9-7-6-8-10-12/h6-10H,1-5H3,(H,17,21)
InChIKey RIJKTPFDFMVNTM-UHFFFAOYSA-N
SMILES C1(N(N(C(=C1NC(=O)OC(C)(C)C)C)C)C=1C=CC=CC1)=O