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tert-Butyl 3-[3-oxo-3-(pyridin-3-yl)prop-1-yn-1-yl]-1H-pyrrolo[2,3-b]-pyridine- 1-carboxylate
SpectraBase Compound ID 191FZp0BNT4
InChI InChI=1S/C20H17N3O3/c1-20(2,3)26-19(25)23-13-15(16-7-5-11-22-18(16)23)8-9-17(24)14-6-4-10-21-12-14/h4-7,10-13H,1-3H3
InChIKey WFVRSNFZGKCJIE-UHFFFAOYSA-N
Mol Weight 347.37 g/mol
Molecular Formula C20H17N3O3
Exact Mass 347.126991 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5I1w3VZiTxS
Name tert-Butyl 3-[3-oxo-3-(pyridin-3-yl)prop-1-yn-1-yl]-1H-pyrrolo[2,3-b]-pyridine- 1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17N3O3
InChI InChI=1S/C20H17N3O3/c1-20(2,3)26-19(25)23-13-15(16-7-5-11-22-18(16)23)8-9-17(24)14-6-4-10-21-12-14/h4-7,10-13H,1-3H3
InChIKey WFVRSNFZGKCJIE-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201103296
Molecular Weight 347.374 g/mol
SMILES c1(cccnc1)C(C#Cc1c2c([n](c1)C(=O)OC(C)(C)C)nccc2)=O
SPLASH splash10-00kb-6790000000-a07a18580ffa37666f11
Source of Spectrum ACI-50-SM26-5e
Synonyms tert-Butyl 3-(3-oxo-3-(pyridin-3-yl)prop-1-yn-1-yl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
Wiley ID 1780011