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methanesulfonic acid (6,11-diketo-6a,7,8,9-tetrahydro-5H-pyrrolo[5,1-c][1,4]benzodiazepin-8-yl) ester
SpectraBase Compound ID 201hWDUzI6n
InChI InChI=1S/C13H14N2O5S/c1-21(18,19)20-8-6-11-12(16)14-10-5-3-2-4-9(10)13(17)15(11)7-8/h2-5,8,11H,6-7H2,1H3,(H,14,16)
InChIKey UVFQCKUEABQQJS-UHFFFAOYSA-N
Mol Weight 310.32 g/mol
Molecular Formula C13H14N2O5S
Exact Mass 310.062343 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GhsuhSSqgzP
Name methanesulfonic acid (6,11-diketo-6a,7,8,9-tetrahydro-5H-pyrrolo[5,1-c][1,4]benzodiazepin-8-yl) ester
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H14N2O5S
InChI InChI=1S/C13H14N2O5S/c1-21(18,19)20-8-6-11-12(16)14-10-5-3-2-4-9(10)13(17)15(11)7-8/h2-5,8,11H,6-7H2,1H3,(H,14,16)
InChIKey UVFQCKUEABQQJS-UHFFFAOYSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2006)
Molecular Weight 310.325 g/mol
Source File Reference MHKO9185