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methyl 4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoate
SpectraBase Compound ID 8uJAJi64EFu
InChI InChI=1S/C14H15BrN2O2/c1-9-13(15)10(2)17(16-9)8-11-4-6-12(7-5-11)14(18)19-3/h4-7H,8H2,1-3H3
InChIKey BTBSJYIFXDSDRH-UHFFFAOYSA-N
Mol Weight 323.19 g/mol
Molecular Formula C14H15BrN2O2
Exact Mass 322.031691 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CDfyw5NvUZC
Name Methyl 4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoate
Alternate Name(s) 4-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]benzoic acid methyl ester 4-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]benzoic acid methyl ester Benzoic acid, 4-(4-bromo-3,5-dimethyl-1-pyrazolylmethyl)-, methyl ester Methyl 4-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]benzoate Methyl 4-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]benzoate
CAS Registry Number 312309-32-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15BrN2O2
InChI InChI=1S/C14H15BrN2O2/c1-9-13(15)10(2)17(16-9)8-11-4-6-12(7-5-11)14(18)19-3/h4-7H,8H2,1-3H3
InChIKey BTBSJYIFXDSDRH-UHFFFAOYSA-N
Molecular Weight 323.190 g/mol
SMILES COC(c1ccc(C[n]2nc(C)c(c2C)Br)cc1)=O
SPLASH splash10-05fr-4719000000-9f59d96dd3938bcecac6
Source of Spectrum AD-0-2532-0
Wiley ID 1434878