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1H-Pyrrole-1-carboxylic acid, 2-bromo-, tert-butyl ester
SpectraBase Compound ID 8li6096U4Pw
InChI InChI=1S/C9H12BrNO2/c1-9(2,3)13-8(12)11-6-4-5-7(11)10/h4-6H,1-3H3
InChIKey HMQSOVFFDHSOMX-UHFFFAOYSA-N
Mol Weight 246.1 g/mol
Molecular Formula C9H12BrNO2
Exact Mass 245.005142 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1EmDN9d2yLR
Name 1H-Pyrrole-1-carboxylic acid, 2-bromo-, tert-butyl ester
CAS Registry Number 117657-37-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12BrNO2
InChI InChI=1S/C9H12BrNO2/c1-9(2,3)13-8(12)11-6-4-5-7(11)10/h4-6H,1-3H3
InChIKey HMQSOVFFDHSOMX-UHFFFAOYSA-N
Molecular Weight 246.104 g/mol
SMILES C([n]1c(ccc1)Br)(OC(C)(C)C)=O
SPLASH splash10-0a4m-9300000000-40299a5eb21db8d6b9c6
Synonyms 2-Bromo-1-pyrrolecarboxylic acid tert-butyl ester 2-Bromopyrrole-1-carboxylic acid tert-butyl ester tert-Butyl 2-bromanylpyrrole-1-carboxylate tert-Butyl 2-bromo-1H-pyrrole-1-carboxylate tert-Butyl 2-bromopyrrole-1-carboxylate
Wiley ID 1475752