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Furan-2-yl (4-tosylpiperazin-1-yl)methanone
SpectraBase Compound ID KCZMqA7OiVG
InChI InChI=1S/C16H18N2O4S/c1-13-4-6-14(7-5-13)23(20,21)18-10-8-17(9-11-18)16(19)15-3-2-12-22-15/h2-7,12H,8-11H2,1H3
InChIKey KBIJOMUAIJBJRE-UHFFFAOYSA-N
Mol Weight 334.39 g/mol
Molecular Formula C16H18N2O4S
Exact Mass 334.098728 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KLorkSLb1j7
Name Furan-2-yl (4-tosylpiperazin-1-yl)methanone
Appearance White solid
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Exact Mass 334.098728238 u
Formula C16H18N2O4S
InChI InChI=1S/C16H18N2O4S/c1-13-4-6-14(7-5-13)23(20,21)18-10-8-17(9-11-18)16(19)15-3-2-12-22-15/h2-7,12H,8-11H2,1H3
InChIKey KBIJOMUAIJBJRE-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/anie.201810548
Molecular Weight 334.390 g/mol
Quality 58
Reported Formula C16H18N2O4S
SMILES C1(S(N2CCN(CC2)C(C=2OC=CC2)=O)(=O)=O)=CC=C(C=C1)C
SPLASH splash10-0002-9200000000-eeebe62b60da6ec4e9ff
Source of Spectrum ACI-57-SM12-6f (DOI: 10.1002/anie.201810548)
Thin-Layer Chromatography 0.47 (pentane/EtOAc, 1:1.5)
Wiley ID 1893591