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(2R,11AS)-7-CHLORO-2-METHYLSULFONYLOXY-1,2,3,10,11,11A-HEXAHYDROPYRROLO-[2,1-C]-[1,4]-BENZODIAZEPIN-5,11-DIONE
SpectraBase Compound ID CXaQTkVS3kK
InChI InChI=1S/C13H13ClN2O5S/c1-22(19,20)21-8-5-11-12(17)15-10-3-2-7(14)4-9(10)13(18)16(11)6-8/h2-4,8,11H,5-6H2,1H3,(H,15,17)/t8-,11+/m1/s1
InChIKey DTEPLLJLHHYJAT-KCJUWKMLSA-N
Mol Weight 344.77 g/mol
Molecular Formula C13H13ClN2O5S
Exact Mass 344.02337 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DRdZX36WwMS
Name (2R,11AS)-7-CHLORO-2-METHYLSULFONYLOXY-1,2,3,10,11,11A-HEXAHYDROPYRROLO-[2,1-C]-[1,4]-BENZODIAZEPIN-5,11-DIONE
Compound Number 19
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H13ClN2O5S
InChI InChI=1S/C13H13ClN2O5S/c1-22(19,20)21-8-5-11-12(17)15-10-3-2-7(14)4-9(10)13(18)16(11)6-8/h2-4,8,11H,5-6H2,1H3,(H,15,17)/t8-,11+/m1/s1
InChIKey DTEPLLJLHHYJAT-KCJUWKMLSA-N
Literature Reference Author S.JOLIVET-FOUCHET,F.FABIS,P.BOVY,P.OCHSENBEIN,S.RAULT
Literature Reference Citation HETEROCYCLES,51,1257(1999)
Literature Reference DOI 10.3987/COM-98-8412
Molecular Weight 344.770 g/mol
Solvent DMSO-D6
Source File Reference UWVP7521