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PCNJGAWNTAIISK-UHFFFAOYSA-N

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PCNJGAWNTAIISK-UHFFFAOYSA-N
SpectraBase Compound ID Ldc53jj5QR3
InChI InChI=1S/C12H11NO6S/c1-5-4-20-10-6(11(16)18-2)8(14)9(15)13(10)7(5)12(17)19-3/h4H2,1-3H3
InChIKey PCNJGAWNTAIISK-UHFFFAOYSA-N
Mol Weight 297.28 g/mol
Molecular Formula C12H11NO6S
Exact Mass 297.030708 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4hDIVLdKL5u
Name PCNJGAWNTAIISK-UHFFFAOYSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H11NO6S
InChI InChI=1S/C12H11NO6S/c1-5-4-20-10-6(11(16)18-2)8(14)9(15)13(10)7(5)12(17)19-3/h4H2,1-3H3
InChIKey PCNJGAWNTAIISK-UHFFFAOYSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2006)
Molecular Weight 297.282 g/mol
Source File Reference MHKO7201