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Cyclopenta[e]-1,2,3-thiadiazine, 2-(2,4-dinitrophenyl)-2,5,6,7-tetrahydro-, monoperchlorate
SpectraBase Compound ID 7AO3eI0Q1j0
InChI InChI=1S/C12H10N4O4S.ClHO4/c17-15(18)9-4-5-10(11(6-9)16(19)20)14-13-7-8-2-1-3-12(8)21-14;2-1(3,4)5/h4-7H,1-3H2;(H,2,3,4,5)
InChIKey JCXAGELIBOBJIL-UHFFFAOYSA-N
Mol Weight 406.75 g/mol
Molecular Formula C12H11ClN4O8S
Exact Mass 405.998612 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3bVAkuMjDM
Name Cyclopenta[e]-1,2,3-thiadiazine, 2-(2,4-dinitrophenyl)-2,5,6,7-tetrahydro-, monoperchlorate
CAS Registry Number 57954-46-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11ClN4O8S
InChI InChI=1S/C12H10N4O4S.ClHO4/c17-15(18)9-4-5-10(11(6-9)16(19)20)14-13-7-8-2-1-3-12(8)21-14;2-1(3,4)5/h4-7H,1-3H2;(H,2,3,4,5)
InChIKey JCXAGELIBOBJIL-UHFFFAOYSA-N
Molecular Weight 406.753 g/mol
SMILES O[Cl](=O)(=O)=O.c1(N2SC=3CCCC3C=N2)c(N(=O)=O)cc(N(=O)=O)cc1
SPLASH splash10-01qc-9200000000-f06df3604f689d585985
Source of Spectrum W5-33848-31688-31688
Synonyms perchloric acid compound with 2-(2,4-dinitrophenyl)-2,5,6,7-tetrahydrocyclopenta[e][1,2,3]thiadiazine (1:1)
Wiley ID 1371888