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1-METHYL-5,6-DIHYDRO-6-HYDROXYMETHYL-8-(4-CHLOROPHENYL)-(1H)-IMIDAZO-[3,2-D]-[1,4]-OXAZEPINIUM_METHANESULFONATE
SpectraBase Compound ID 92fJikXtJR1
InChI InChI=1S/C15H16ClN2O2.CH4O3S/c1-17-6-7-18-9-13(10-19)20-14(8-15(17)18)11-2-4-12(16)5-3-11;1-5(2,3)4/h2-8,13,19H,9-10H2,1H3;1H3,(H,2,3,4)/q+1;/p-1
InChIKey WHDMPPDPRFCDFK-UHFFFAOYSA-M
Mol Weight 386.85 g/mol
Molecular Formula C16H19ClN2O5S
Exact Mass 386.070321 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HHhVymuomTN
Name 1-METHYL-5,6-DIHYDRO-6-HYDROXYMETHYL-8-(4-CHLOROPHENYL)-(1H)-IMIDAZO-[3,2-D]-[1,4]-OXAZEPINIUM_METHANESULFONATE
Compound Number 7A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H19ClN2O5S
InChI InChI=1S/C15H16ClN2O2.CH4O3S/c1-17-6-7-18-9-13(10-19)20-14(8-15(17)18)11-2-4-12(16)5-3-11;1-5(2,3)4/h2-8,13,19H,9-10H2,1H3;1H3,(H,2,3,4)/q+1;/p-1
InChIKey WHDMPPDPRFCDFK-UHFFFAOYSA-M
Literature Reference Author S.P.UPADHYAYA,F.S.DAVIS,J.J.LEE,K.ZAW,L.BAUER,N.E.HEIMER
Literature Reference Citation J.HETCYCL.CHEM.,34,1607(1997)
Literature Reference DOI 10.1002/jhet.5570340537
Molecular Weight 386.850 g/mol
Solvent D2O
Source File Reference UWSW536