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6-CHLORO-11,11-DIMETHYL-10,11-DIHYDRO-7H-CYCLOHEPTA-[D]-TETRAZOLO-[1.5-B]-PYRIDAZINE
SpectraBase Compound ID Fe2OljddRzm
InChI InChI=1S/C11H12ClN5/c1-11(2)6-4-3-5-7-8(11)10-13-15-16-17(10)14-9(7)12/h3-4H,5-6H2,1-2H3
InChIKey IGRAXUCLBAWMLY-UHFFFAOYSA-N
Mol Weight 249.7 g/mol
Molecular Formula C11H12ClN5
Exact Mass 249.078123 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AVn4cSMzAJK
Name 7H-Cyclohepta[d]tetrazolo[1,5-b]pyridazine, 6-chloro-10,11-dihydro-11,11-dimethyl-
CAS Registry Number 112998-28-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12ClN5
InChI InChI=1S/C11H12ClN5/c1-11(2)6-4-3-5-7-8(11)10-13-15-16-17(10)14-9(7)12/h3-4H,5-6H2,1-2H3
InChIKey IGRAXUCLBAWMLY-UHFFFAOYSA-N
Molecular Weight 249.705 g/mol
SMILES c12[n](N=C(C=3CC=CCC(C23)(C)C)Cl)nnn1
SPLASH splash10-0ftp-9430000000-e7ca91ce4bbd5302eb0b
Source of Spectrum B-40-2046-16
Synonyms 6-Chloro-11,11-dimethyl-10,11-dihydro-7H-cyclohepta[d]tetraazolo[1,5-b]pyridazine 6-Chloro-11,11-dimethyl-10,11-dihydro-7H-cyclohepta[d]tetrazolo[1,5-b]pyridazine
Wiley ID 1252006