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Cyclohepta[e]-1,2,3-thiadiazine, 2-(2,4-dinitrophenyl)-2,5,6,7,8,9-hexahydro-, monoperchlorate
SpectraBase Compound ID 5SZECx2fwkB
InChI InChI=1S/C14H14N4O4S.ClHO4/c19-17(20)11-6-7-12(13(8-11)18(21)22)16-15-9-10-4-2-1-3-5-14(10)23-16;2-1(3,4)5/h6-9H,1-5H2;(H,2,3,4,5)
InChIKey ZGEPLKWKGHRQOO-UHFFFAOYSA-N
Mol Weight 434.81 g/mol
Molecular Formula C14H15ClN4O8S
Exact Mass 434.029912 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7s0TG7wGe7e
Name Cyclohepta[e]-1,2,3-thiadiazine, 2-(2,4-dinitrophenyl)-2,5,6,7,8,9-hexahydro-, monoperchlorate
Alternate Name(s) perchloric acid compound with 2-(2,4-dinitrophenyl)-2,5,6,7,8,9-hexahydrocyclohepta[e][1,2,3]thiadiazine (1:1)
CAS Registry Number 42141-14-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15ClN4O8S
InChI InChI=1S/C14H14N4O4S.ClHO4/c19-17(20)11-6-7-12(13(8-11)18(21)22)16-15-9-10-4-2-1-3-5-14(10)23-16;2-1(3,4)5/h6-9H,1-5H2;(H,2,3,4,5)
InChIKey ZGEPLKWKGHRQOO-UHFFFAOYSA-N
Molecular Weight 434.807 g/mol
SMILES O[Cl](=O)(=O)=O.c1(N2SC=3CCCCCC3C=N2)c(N(=O)=O)cc(N(=O)=O)cc1
SPLASH splash10-0f8l-0692000000-f687ab80ed4d3442532d
Source of Spectrum W5-34974-30562-30562
Wiley ID 1382789