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(E)-4-[1-(Toluene-4-sulfonyl)-1H-pyrrol-3-yl]prop-2-enenitrile
SpectraBase Compound ID Bb5EvmQzSiO
InChI InChI=1S/C14H12N2O2S/c1-12-4-6-14(7-5-12)19(17,18)16-10-8-13(11-16)3-2-9-15/h2-8,10-11H,1H3/b3-2+
InChIKey KAUAPDAFFWGNRK-NSCUHMNNSA-N
Mol Weight 272.32 g/mol
Molecular Formula C14H12N2O2S
Exact Mass 272.061949 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Il0Yy5aKDlq
Name (E)-4-[1-(Toluene-4-sulfonyl)-1H-pyrrol-3-yl]prop-2-enenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12N2O2S
InChI InChI=1S/C14H12N2O2S/c1-12-4-6-14(7-5-12)19(17,18)16-10-8-13(11-16)3-2-9-15/h2-8,10-11H,1H3/b3-2+
InChIKey KAUAPDAFFWGNRK-NSCUHMNNSA-N
Molecular Weight 272.322 g/mol
SMILES c1[n](S(c2ccc(cc2)C)(=O)=O)ccc1\C=C\C#N
SPLASH splash10-05fu-9550000000-a23aa8d3169dc502f739
Source of Spectrum F4-0-1496-4
Wiley ID 1619691