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1-CYCLOPROPYL-6-FLUORO-4,12-DIOXO-1,4,12,13-TETRAHYDROQUINO-[7,8-B]-BENZOTHIAZEPINE-3-CARBOXYLIC-ACID
SpectraBase Compound ID BAKbCfnBBqv
InChI InChI=1S/C20H13FN2O4S/c21-13-7-11-16(23(9-5-6-9)8-12(17(11)24)20(26)27)15-18(13)28-14-4-2-1-3-10(14)19(25)22-15/h1-4,7-9H,5-6H2,(H,22,25)(H,26,27)
InChIKey LWPCWLFMBFBRQE-UHFFFAOYSA-N
Mol Weight 396.39 g/mol
Molecular Formula C20H13FN2O4S
Exact Mass 396.058006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JNdQjqrrcCm
Name 1-CYCLOPROPYL-6-FLUORO-4,12-DIOXO-1,4,12,13-TETRAHYDROQUINO-[7,8-B]-BENZOTHIAZEPINE-3-CARBOXYLIC-ACID
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H13FN2O4S
InChI InChI=1S/C20H13FN2O4S/c21-13-7-11-16(23(9-5-6-9)8-12(17(11)24)20(26)27)15-18(13)28-14-4-2-1-3-10(14)19(25)22-15/h1-4,7-9H,5-6H2,(H,22,25)(H,26,27)
InChIKey LWPCWLFMBFBRQE-UHFFFAOYSA-N
Literature Reference Author M.H.AL-HUNITI,M.M.EL-ABADELAH,J.A.ZAHRA,S.S.SABRI,A.INGENDOH
Literature Reference Citation MOLECULES,12,1558(2007)
Literature Reference DOI 10.3390/12081558
Molecular Weight 396.393 g/mol
Sample ID 57465
Solvent DMSO-D6