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Ethyl (E)-3-[1-(toluene-4-sulfonyl)-1H-pyrrol-3-yl]prop-2-enoate
SpectraBase Compound ID JDnXtpukUvH
InChI InChI=1S/C16H17NO4S/c1-3-21-16(18)9-6-14-10-11-17(12-14)22(19,20)15-7-4-13(2)5-8-15/h4-12H,3H2,1-2H3/b9-6+
InChIKey FINNXFXUSNENKX-RMKNXTFCSA-N
Mol Weight 319.38 g/mol
Molecular Formula C16H17NO4S
Exact Mass 319.087829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8xYnXwYr5bV
Name Ethyl (E)-3-[1-(toluene-4-sulfonyl)-1H-pyrrol-3-yl]prop-2-enoate
Alternate Name(s) Ethyl (2E)-3-{1-[(4-methylphenyl)sulfonyl]-1H-pyrrol-3-yl}-2-propenoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17NO4S
InChI InChI=1S/C16H17NO4S/c1-3-21-16(18)9-6-14-10-11-17(12-14)22(19,20)15-7-4-13(2)5-8-15/h4-12H,3H2,1-2H3/b9-6+
InChIKey FINNXFXUSNENKX-RMKNXTFCSA-N
Molecular Weight 319.375 g/mol
SMILES C(\C=C\c1c[n](cc1)S(=O)(=O)c1ccc(cc1)C)(=O)OCC
SPLASH splash10-014l-5948000000-739138cfd3767e6559c2
Source of Spectrum F4-0-1496-4
Wiley ID 1619693