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(E)-Butyl 2-[1-oxido-1-(piperidin-1-yl)-3H-1.lambda.4-benzo[d]isothiazol-3-ylidene]acetate
SpectraBase Compound ID HAtPvUNIslc
InChI InChI=1S/C18H24N2O3S/c1-2-3-13-23-18(21)14-16-15-9-5-6-10-17(15)24(22,19-16)20-11-7-4-8-12-20/h5-6,9-10,14H,2-4,7-8,11-13H2,1H3/b16-14+
InChIKey GXJNUJVBAZBMFM-JQIJEIRASA-N
Mol Weight 348.46 g/mol
Molecular Formula C18H24N2O3S
Exact Mass 348.150764 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DUOLuzsrEuK
Name (E)-Butyl 2-[1-oxido-1-(piperidin-1-yl)-3H-1.lambda.4-benzo[d]isothiazol-3-ylidene]acetate
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Exact Mass 348.150763812 u
Formula C18H24N2O3S
InChI InChI=1S/C18H24N2O3S/c1-2-3-13-23-18(21)14-16-15-9-5-6-10-17(15)24(22,19-16)20-11-7-4-8-12-20/h5-6,9-10,14H,2-4,7-8,11-13H2,1H3/b16-14+
InChIKey GXJNUJVBAZBMFM-JQIJEIRASA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/chem.201900920
Molecular Weight 348.461 g/mol
Quality 238
Reported Formula C18H24N2O3S
SMILES C1=CC2=C(C=C1)\C(N=S2(N1CCCCC1)=O)=C/C(OCCCC)=O
SPLASH splash10-001j-9110000000-a6ed88a80eb66aa5534d
Sample Comments Diastereomer A
Source of Spectrum QE-25-SM16-4 (DOI: 10.1002/chem.201900920)
Wiley ID 1891466