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2H-Pyrazole-3-carboxylic acid, 4-bromo-2-methyl-, (adamantan-1-ylmethyl)amide

View entire compound with spectra: 1 MS (GC)

2H-Pyrazole-3-carboxylic acid, 4-bromo-2-methyl-, (adamantan-1-ylmethyl)amide
SpectraBase Compound ID 8dSNyiBAzRB
InChI InChI=1S/C16H22BrN3O/c1-20-14(13(17)8-19-20)15(21)18-9-16-5-10-2-11(6-16)4-12(3-10)7-16/h8,10-12H,2-7,9H2,1H3,(H,18,21)/t10-,11+,12-,16-
InChIKey FAVOBQJXGOZVNZ-BZQOWKENSA-N
Mol Weight 352.28 g/mol
Molecular Formula C16H22BrN3O
Exact Mass 351.094625 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2NQ9WWl3LM
Name 2H-Pyrazole-3-carboxylic acid, 4-bromo-2-methyl-, (adamantan-1-ylmethyl)amide
Alternate Name(s) N-(1-adamantylmethyl)-4-bromanyl-2-methyl-pyrazole-3-carboxamide N-(1-adamantylmethyl)-4-bromo-2-methyl-3-pyrazolecarboxamide N-(1-adamantylmethyl)-4-bromo-2-methyl-pyrazole-3-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22BrN3O
InChI InChI=1S/C16H22BrN3O/c1-20-14(13(17)8-19-20)15(21)18-9-16-5-10-2-11(6-16)4-12(3-10)7-16/h8,10-12H,2-7,9H2,1H3,(H,18,21)/t10-,11+,12-,16-
InChIKey FAVOBQJXGOZVNZ-BZQOWKENSA-N
Molecular Weight 352.276 g/mol
SMILES N(C(c1[n](ncc1Br)C)=O)CC12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H]
SPLASH splash10-000i-9601000000-9291b77516456f23f4f5
Wiley ID 1445873