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Methyl 2-(1-phenylsulfonylpyrrol-3-yloct-6-ynoate
SpectraBase Compound ID 8k8LY5oXvua
InChI InChI=1S/C19H21NO4S/c1-3-4-5-9-12-18(19(21)24-2)16-13-14-20(15-16)25(22,23)17-10-7-6-8-11-17/h6-8,10-11,13-15,18H,5,9,12H2,1-2H3
InChIKey NPNLXLWBUHUDEP-UHFFFAOYSA-N
Mol Weight 359.44 g/mol
Molecular Formula C19H21NO4S
Exact Mass 359.119129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 91QUV6daRs
Name Methyl 2-(1-phenylsulfonylpyrrol-3-yloct-6-ynoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H21NO4S
InChI InChI=1S/C19H21NO4S/c1-3-4-5-9-12-18(19(21)24-2)16-13-14-20(15-16)25(22,23)17-10-7-6-8-11-17/h6-8,10-11,13-15,18H,5,9,12H2,1-2H3
InChIKey NPNLXLWBUHUDEP-UHFFFAOYSA-N
Molecular Weight 359.440 g/mol
SMILES c1[n](S(=O)(=O)c2ccccc2)ccc1C(C(=O)OC)CCCC#CC
SPLASH splash10-00or-7492000000-0943de3b0df68e211129
Source of Spectrum F-48-7464-20
Synonyms Methyl 2-[1-(phenylsulfonyl)-1H-pyrrol-3-yl]-6-octynoate
Wiley ID 1347737