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2-(2-Chlorophenyl)-2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5(4H)-yl)acetic acid(2-nitrooxyethanol)Ester
SpectraBase Compound ID EchYFMoKeom
InChI InChI=1S/C17H17ClN2O5S/c18-14-4-2-1-3-13(14)16(17(21)24-8-9-25-20(22)23)19-7-5-15-12(11-19)6-10-26-15/h1-4,6,10,16H,5,7-9,11H2
InChIKey VHYKYVJGUIETIB-UHFFFAOYSA-N
Mol Weight 396.85 g/mol
Molecular Formula C17H17ClN2O5S
Exact Mass 396.054671 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1zRxdx6hOe8
Name 2-(2-Chlorophenyl)-2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5(4H)-yl)acetic acid(2-nitrooxyethanol)Ester
Appearance Pale yellow oily liquid
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Formula C17H17ClN2O5S
InChI InChI=1S/C17H17ClN2O5S/c18-14-4-2-1-3-13(14)16(17(21)24-8-9-25-20(22)23)19-7-5-15-12(11-19)6-10-26-15/h1-4,6,10,16H,5,7-9,11H2
InChIKey VHYKYVJGUIETIB-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 396.845 g/mol
SMILES c12CN(CCc2scc1)C(C(OCCO[N+]([O-])=O)=O)c1ccccc1Cl
SPLASH splash10-03dr-3970000000-0e192f2ca68cbd6aaeff
Source of Spectrum CN101863900A
Thin-Layer Chromatography Rf = 0.45 (petroleum ether/ethyl acetate, 2:1)
Wiley ID 1843878