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2-(Pent-4-en-1-yl)-1-tosyl-1H-pyrrole
SpectraBase Compound ID DIdXCZgR5BM
InChI InChI=1S/C16H19NO2S/c1-3-4-5-7-15-8-6-13-17(15)20(18,19)16-11-9-14(2)10-12-16/h3,6,8-13H,1,4-5,7H2,2H3
InChIKey AQKQUGQUAOWOSG-UHFFFAOYSA-N
Mol Weight 289.39 g/mol
Molecular Formula C16H19NO2S
Exact Mass 289.11365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H4WGPu5b9qu
Name 2-(Pent-4-en-1-yl)-1-tosyl-1H-pyrrole
Appearance Deep yellow oil
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Exact Mass 289.113650028 u
Formula C16H19NO2S
InChI InChI=1S/C16H19NO2S/c1-3-4-5-7-15-8-6-13-17(15)20(18,19)16-11-9-14(2)10-12-16/h3,6,8-13H,1,4-5,7H2,2H3
InChIKey AQKQUGQUAOWOSG-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95 or API QSTAR PULSAR iLC/MS/TOF
Ionization Type EI
Literature Reference DOI 10.1002/anie.201711439
Molecular Weight 289.393 g/mol
Quality 116
Reported Formula C16H19NO2S
SMILES C1(S(N2C(=CC=C2)CCCC=C)(=O)=O)=CC=C(C=C1)C
SPLASH splash10-053u-5950000000-08eeba473aa20c69626a
Source of Spectrum ACI-57-SM7-2c.1 (DOI: 10.1002/anie.201711439)
Thin-Layer Chromatography 0.37 (EtOAc/hexane, 5%)
Wiley ID 1890667