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1H-Pyrazole-3-carboxylic acid, 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-, methyl ester
SpectraBase Compound ID IL8anZB86QY
InChI InChI=1S/C13H11BrN2O4/c1-18-13(17)10-2-3-16(15-10)6-8-4-11-12(5-9(8)14)20-7-19-11/h2-5H,6-7H2,1H3
InChIKey MDGLDUZICRAXNB-UHFFFAOYSA-N
Mol Weight 339.15 g/mol
Molecular Formula C13H11BrN2O4
Exact Mass 337.99022 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LGRBELaKVxF
Name 1H-Pyrazole-3-carboxylic acid, 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-, methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11BrN2O4
InChI InChI=1S/C13H11BrN2O4/c1-18-13(17)10-2-3-16(15-10)6-8-4-11-12(5-9(8)14)20-7-19-11/h2-5H,6-7H2,1H3
InChIKey MDGLDUZICRAXNB-UHFFFAOYSA-N
Molecular Weight 339.145 g/mol
SMILES c1(cc2c(cc1Br)OCO2)C[n]1nc(C(OC)=O)cc1
SPLASH splash10-0a4i-4590000000-8dae30e617a72ec76366
Synonyms 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-3-pyrazolecarboxylic acid methyl ester 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]pyrazole-3-carboxylic acid methyl ester Methyl 1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]pyrazole-3-carboxylate Methyl 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1H-pyrazole-3-carboxylate Methyl 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]pyrazole-3-carboxylate
Wiley ID 1448421