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isobutyl 1-phenyl-1H-pyrrole-2-carboxylate

View entire compound with spectra: 1 MS (GC)

isobutyl 1-phenyl-1H-pyrrole-2-carboxylate
SpectraBase Compound ID XLIMgZf5s6
InChI InChI=1S/C15H17NO2/c1-12(2)11-18-15(17)14-9-6-10-16(14)13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3
InChIKey KASFDIUPXOTOQZ-UHFFFAOYSA-N
Mol Weight 243.31 g/mol
Molecular Formula C15H17NO2
Exact Mass 243.125929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3tgu763oBc
Name isobutyl 1-phenyl-1H-pyrrole-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H17NO2
InChI InChI=1S/C15H17NO2/c1-12(2)11-18-15(17)14-9-6-10-16(14)13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3
InChIKey KASFDIUPXOTOQZ-UHFFFAOYSA-N
Literature Reference DOI 10.1039/C4RA13094D
Molecular Weight 243.306 g/mol
SMILES c1c[n](-c2ccccc2)c(C(=O)OCC(C)C)c1
SPLASH splash10-00rf-2910000000-7b9688f6d5064296c4a3
Source of Spectrum RSA-5-4210/SM3-6ff
Wiley ID 1805565