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Thiocyanic acid, 2,4-dinitrophenyl ester

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Thiocyanic acid, 2,4-dinitrophenyl ester
SpectraBase Compound ID AO1cCEB4wsw
InChI InChI=1S/C7H3N3O4S/c8-4-15-7-2-1-5(9(11)12)3-6(7)10(13)14/h1-3H
InChIKey XQDQRCRASHAZBA-UHFFFAOYSA-N
Mol Weight 225.18 g/mol
Molecular Formula C7H3N3O4S
Exact Mass 224.984427 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DFW3SJWTHs
Name THIOCYANIC ACID, 2,4-DINITROPHENYL ESTER
Source of Sample Pfaltz & Bauer, Inc., Waterbury, Connecticut
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H3N3O4S
InChI InChI=1S/C7H3N3O4S/c8-4-15-7-2-1-5(9(11)12)3-6(7)10(13)14/h1-3H
InChIKey XQDQRCRASHAZBA-UHFFFAOYSA-N
Melting Point 135-140C
Molecular Weight 225.18
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms THIOCYANIC ACID, 2,4-DINITROPHENYL ESTER