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ITTASXBJCPESAY-UHFFFAOYSA-M

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ITTASXBJCPESAY-UHFFFAOYSA-M
SpectraBase Compound ID L98KBRmXH6j
InChI InChI=1S/C8H9NO6S2.Na/c10-3-4-16-8-2-1-6(17(13,14)15)5-7(8)9(11)12;/h1-2,5,10H,3-4H2,(H,13,14,15);/q;+1/p-1
InChIKey ITTASXBJCPESAY-UHFFFAOYSA-M
Mol Weight 301.26 g/mol
Molecular Formula C8H8NNaO6S2
Exact Mass 300.969074 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fx0c2MFl3aS
Name ITTASXBJCPESAY-UHFFFAOYSA-M
Compound Number 1865
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H8NNaO6S2
InChI InChI=1S/C8H9NO6S2.Na/c10-3-4-16-8-2-1-6(17(13,14)15)5-7(8)9(11)12;/h1-2,5,10H,3-4H2,(H,13,14,15);/q;+1/p-1
InChIKey ITTASXBJCPESAY-UHFFFAOYSA-M
Literature Reference Author W.ROBIEN
Literature Reference Citation W.ROBIEN,PRIVATE_COMMUNICATION
Molecular Weight 301.264 g/mol
Sample ID 6570
Solvent DMSO-D6