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4-Methylsulfonyloxy-4,5-dihydro-1,2,2a,5a,7-penta-aza-acenap hthylene-6,8(3H,7H)-dione
SpectraBase Compound ID 2s1RYdxGn11
InChI InChI=1S/C8H9N5O5S/c1-19(16,17)18-4-2-12-7-5(6(14)9-8(12)15)10-11-13(7)3-4/h4H,2-3H2,1H3,(H,9,14,15)
InChIKey NOFLSILFLLNKMV-UHFFFAOYSA-N
Mol Weight 287.25 g/mol
Molecular Formula C8H9N5O5S
Exact Mass 287.03244 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4a5kL7myeEL
Name 4-Methylsulfonyloxy-4,5-dihydro-1,2,2a,5a,7-penta-aza-acenap hthylene-6,8(3H,7H)-dione
CAS Registry Number 113501-40-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H9N5O5S
InChI InChI=1S/C8H9N5O5S/c1-19(16,17)18-4-2-12-7-5(6(14)9-8(12)15)10-11-13(7)3-4/h4H,2-3H2,1H3,(H,9,14,15)
InChIKey NOFLSILFLLNKMV-UHFFFAOYSA-N
Instrument Name Jeol FX-90
Literature Reference M. Jokic, V. Skaric, J. Chem. Soc. Perkin I 757 (1989).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6