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tert-Butyl 2-(phenylethenyl)-4-iodo-1H-pyrrole-1-carboxylate
SpectraBase Compound ID D9WPjWdTgBB
InChI InChI=1S/C17H18INO2/c1-17(2,3)21-16(20)19-12-14(18)11-15(19)10-9-13-7-5-4-6-8-13/h4-12H,1-3H3/b10-9+
InChIKey LJWMJKOYSRKSEP-MDZDMXLPSA-N
Mol Weight 395.24 g/mol
Molecular Formula C17H18INO2
Exact Mass 395.038224 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ByQd9KTlpmW
Name tert-Butyl 2-(phenylethenyl)-4-iodo-1H-pyrrole-1-carboxylate
Alternate Name(s) (E)-tert-butyl 4-iodo-2-styryl-1H-pyrrole-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18INO2
InChI InChI=1S/C17H18INO2/c1-17(2,3)21-16(20)19-12-14(18)11-15(19)10-9-13-7-5-4-6-8-13/h4-12H,1-3H3/b10-9+
InChIKey LJWMJKOYSRKSEP-MDZDMXLPSA-N
Literature Reference DOI 10.1021/ol900581a
Molecular Weight 395.240 g/mol
SMILES c1c(I)c[n](C(=O)OC(C)(C)C)c1\C=C\c1ccccc1
SPLASH splash10-0a4i-9001000000-5708f01f71f5f9354bf4
Source of Spectrum A1-11-2269/SM18-4i
Wiley ID 1756783