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7,10-Epoxy-7H-cyclohept[d]imidazo[1,2-b]pyridazine, 6-chloro-10,11-dihydro-11,11-dimethyl-
SpectraBase Compound ID HuuliAt79nl
InChI InChI=1S/C13H12ClN3O/c1-13(2)8-4-3-7(18-8)9-10(13)12-15-5-6-17(12)16-11(9)14/h3-8H,1-2H3
InChIKey KVEDRDNOJSEHEK-UHFFFAOYSA-N
Mol Weight 261.71 g/mol
Molecular Formula C13H12ClN3O
Exact Mass 261.06689 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ERp9iLLqiNy
Name 7,10-Epoxy-7H-cyclohept[d]imidazo[1,2-b]pyridazine, 6-chloro-10,11-dihydro-11,11-dimethyl-
CAS Registry Number 105949-23-3
Comments Less than 3 mono-isotopic peaks
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Formula C13H12ClN3O
InChI InChI=1S/C13H12ClN3O/c1-13(2)8-4-3-7(18-8)9-10(13)12-15-5-6-17(12)16-11(9)14/h3-8H,1-2H3
InChIKey KVEDRDNOJSEHEK-UHFFFAOYSA-N
Molecular Weight 261.712 g/mol
SMILES C12=C(c3ncc[n]3N=C2Cl)C(C)(C)C2OC1C=C2
SPLASH splash10-001i-0090000000-56705d3176787dcd1d57
Source of Spectrum B-40-2044-8
Synonyms 3-chloro-11,11-dimethyl-15-oxa-4,5,8-triazatetracyclo[10.2.1.0(2,10).0(5,9)]pentadeca-2(10),3,6,8,13-pentaene 6-Chloro-11,11-dimethyl-10,11-dihydro-7,10-epoxy-7H-cyclohept[d]imidazo[1,2-b]pyridazine
Wiley ID 1264638