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Butyl 2-[5-fluoro-1-oxido-1-(piperidin-1-yl)-3H-1.lambda.4-benzo[d]isothiazol-3-yl]acetate
SpectraBase Compound ID xFvtLWLQm5
InChI InChI=1S/C18H25FN2O3S/c1-2-3-11-24-18(22)13-16-15-12-14(19)7-8-17(15)25(23,20-16)21-9-5-4-6-10-21/h7-8,12,16H,2-6,9-11,13H2,1H3
InChIKey FDJAEHGLEUVMKP-UHFFFAOYSA-N
Mol Weight 368.47 g/mol
Molecular Formula C18H25FN2O3S
Exact Mass 368.156992 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J7PxepiNoQq
Name Butyl 2-[5-fluoro-1-oxido-1-(piperidin-1-yl)-3H-1.lambda.4-benzo[d]isothiazol-3-yl]acetate
Appearance Yellow oil
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Formula C18H25FN2O3S
InChI InChI=1S/C18H25FN2O3S/c1-2-3-11-24-18(22)13-16-15-12-14(19)7-8-17(15)25(23,20-16)21-9-5-4-6-10-21/h7-8,12,16H,2-6,9-11,13H2,1H3
InChIKey FDJAEHGLEUVMKP-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/chem.201900920
Molecular Weight 368.467 g/mol
Reported Formula C18H25FO3N2S
SMILES C1=CC2=C(C=C1F)C(N=S2(N1CCCCC1)=O)CC(OCCCC)=O
SPLASH splash10-00lr-9365000000-5bb21c0d50c89fc8d4ff
Sample Comments dr = 2:1
Source of Spectrum QE-25-SM9-3ha (DOI: 10.1002/chem.201900920)
Wiley ID 1891451