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Ethyl 2-(4-tosyl-3,4-dihydro-2H-benzo[B][1,4]oxazin-3-yl)acetate
SpectraBase Compound ID 8DgCKDoG3Mk
InChI InChI=1S/C19H21NO5S/c1-3-24-19(21)12-15-13-25-18-7-5-4-6-17(18)20(15)26(22,23)16-10-8-14(2)9-11-16/h4-11,15H,3,12-13H2,1-2H3
InChIKey WAIGEYAVOFVSBH-UHFFFAOYSA-N
Mol Weight 375.44 g/mol
Molecular Formula C19H21NO5S
Exact Mass 375.114044 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IkfSGm448Kq
Name Ethyl 2-(4-tosyl-3,4-dihydro-2H-benzo[B][1,4]oxazin-3-yl)acetate
Comments Computed using HOSE algorithm
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Exact Mass 375.114043949 u
Formula C19H21NO5S
InChI InChI=1S/C19H21NO5S/c1-3-24-19(21)12-15-13-25-18-7-5-4-6-17(18)20(15)26(22,23)16-10-8-14(2)9-11-16/h4-11,15H,3,12-13H2,1-2H3
InChIKey WAIGEYAVOFVSBH-UHFFFAOYSA-N
Molecular Weight 375.439 g/mol
SMILES C(CC1N(C2=C(OC1)C=CC=C2)S(=O)(=O)C1=CC=C(C)C=C1)(=O)OCC