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(2R,11AS)-7-METHYL-2-METHYLSULFONYLOXY-1,2,3,10,11,11A-HEXAHYDROPYRROLO-[2,1-C]-[1,4]-BENZODIAZEPIN-5,11-DIONE
SpectraBase Compound ID DAnvDs6pX3x
InChI InChI=1S/C14H16N2O5S/c1-8-3-4-11-10(5-8)14(18)16-7-9(21-22(2,19)20)6-12(16)13(17)15-11/h3-5,9,12H,6-7H2,1-2H3,(H,15,17)/t9-,12+/m1/s1
InChIKey PJXNVBUOYLAGIB-SKDRFNHKSA-N
Mol Weight 324.35 g/mol
Molecular Formula C14H16N2O5S
Exact Mass 324.077993 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HC7wx8KQgtZ
Name (2R,11AS)-7-METHYL-2-METHYLSULFONYLOXY-1,2,3,10,11,11A-HEXAHYDROPYRROLO-[2,1-C]-[1,4]-BENZODIAZEPIN-5,11-DIONE
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H16N2O5S
InChI InChI=1S/C14H16N2O5S/c1-8-3-4-11-10(5-8)14(18)16-7-9(21-22(2,19)20)6-12(16)13(17)15-11/h3-5,9,12H,6-7H2,1-2H3,(H,15,17)/t9-,12+/m1/s1
InChIKey PJXNVBUOYLAGIB-SKDRFNHKSA-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 324.351 g/mol
Solvent DMSO-D6
Source File Reference UWVP7522