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1H-Pyrrole-1-carboxylic acid, 2,5-diphenyl-, tert-butyl ester
SpectraBase Compound ID GQ49ahcfDmG
InChI InChI=1S/C21H21NO2/c1-21(2,3)24-20(23)22-18(16-10-6-4-7-11-16)14-15-19(22)17-12-8-5-9-13-17/h4-15H,1-3H3
InChIKey WXAPIJMIDFQABZ-UHFFFAOYSA-N
Mol Weight 319.4 g/mol
Molecular Formula C21H21NO2
Exact Mass 319.157229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F6qAKQb5VXJ
Name 1H-Pyrrole-1-carboxylic acid, 2,5-diphenyl-, tert-butyl ester
Alternate Name(s) 2,5-Diphenyl-1-pyrrolecarboxylic acid tert-butyl ester 2,5-Diphenylpyrrole-1-carboxylic acid tert-butyl ester tert-Butyl 2,5-diphenyl-1H-pyrrole-1-carboxylate tert-Butyl 2,5-diphenylpyrrole-1-carboxylate
CAS Registry Number 169782-37-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21NO2
InChI InChI=1S/C21H21NO2/c1-21(2,3)24-20(23)22-18(16-10-6-4-7-11-16)14-15-19(22)17-12-8-5-9-13-17/h4-15H,1-3H3
InChIKey WXAPIJMIDFQABZ-UHFFFAOYSA-N
Molecular Weight 319.404 g/mol
SMILES CC(OC([n]1c(ccc1-c1ccccc1)-c1ccccc1)=O)(C)C
SPLASH splash10-014i-5390000000-8ae4118959ce082d0694
Wiley ID 1475746