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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IwluDWr7BW3
Name Thiocyanic acid, 2,4-dinitrophenyl ester
CAS Registry Number 1594-56-5
Copyright Copyright © 2020-2024 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
Molecular Weight 225.178 g/mol
SMILES c1(N(=O)=O)c(SC#N)ccc(c1)N(=O)=O
SPLASH splash10-001i-9100000000-1bc43a83b25c86b8d271
Source of Spectrum PG-1982-649-0
Synonyms (2,4-dinitrophenyl) thiocyanate 2,4-Dinitro-1-thiocyanobenzene 2,4-Dinitro-rhodanbenzol 2,4-Dinitrofenylthiokyanat 2,4-Dinitrothiocyanatebenzene 2,4-Dinitrothiocyanatobenzene 2,4-Dinitrothiocyanobenzene DNRB DNTB Gryzbol Grzybol NBT NBT (pesticide) NIRIT Nirit Supra Nitrite RDNB Rhodandinitrobenzol Rodatox 60 Thiocyano-2,4-dinitrobenzene Tri-Rodazene Trirodazeen 2317-W AI3-18662 BRN 1983292 CASWELL NO. 392C CCRIS 3142 EINECS 216-477-5 EPA PESTICIDE CHEMICAL CODE 392400 NSC 540
Wiley ID 1226100