SpectraBase Compound ID | I8I90Md5mTF |
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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 |
SpectraBase Spectrum ID | AaYl6el7eUE |
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Name | N-(1,5-Dimethyl-3-oxo-2-phenyl-4-pyrazolyl)carbamic acid tert-butyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
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 |