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2,4,6-TRINITROBENZENESULFONIC ACID, HYDRATED
SpectraBase Compound ID G5mVUF3JwSK
InChI InChI=1S/C6H3N3O9S.H2O/c10-7(11)3-1-4(8(12)13)6(19(16,17)18)5(2-3)9(14)15;/h1-2H,(H,16,17,18);1H2
InChIKey VDJSNCWPUWWWLH-UHFFFAOYSA-N
Mol Weight 311.177 g/mol
Molecular Formula C6H5N3O10S
Exact Mass 310.969565 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 78rDo2wvDsf
Name 2,4,6-TRINITROBENZENESULFONIC ACID, HYDRATED
Source of Sample Fluka AG, Buchs, Switzerland
CAS Registry Number 2508-19-2
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H3N3O9S xH2O
InChI InChI=1S/C6H3N3O9S.H2O/c10-7(11)3-1-4(8(12)13)6(19(16,17)18)5(2-3)9(14)15;/h1-2H,(H,16,17,18);1H2
InChIKey VDJSNCWPUWWWLH-UHFFFAOYSA-N
Melting Point 190-195C (dec.)
Molecular Weight 293.17 + aq.
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms BENZENESULFONIC ACID, 2,4,6-TRINITRO-, HYDRATED