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exo-2-(3,6-Dichloropyridazin-4-yl)-7-azabicyclo[2.2.1]heptane-7-carboxylic Acid Ethyl Ester
SpectraBase Compound ID 5Og18XluUbH
InChI InChI=1S/C13H15Cl2N3O2/c1-2-20-13(19)18-7-3-4-10(18)8(5-7)9-6-11(14)16-17-12(9)15/h6-8,10H,2-5H2,1H3/t7-,8+,10+/m1/s1
InChIKey LDIBWAFIOOCUSR-WEDXCCLWSA-N
Mol Weight 316.19 g/mol
Molecular Formula C13H15Cl2N3O2
Exact Mass 315.054132 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Rc8FDD5naV
Name exo-2-(3,6-Dichloropyridazin-4-yl)-7-azabicyclo[2.2.1]heptane-7-carboxylic Acid Ethyl Ester
Alternate Name(s) 3-(3,6-dichloro-4-pyridazinyl)-7-azabicyclo[2.2.1]heptane-7-carboxylic acid ethyl ester 3-(3,6-dichloropyridazin-4-yl)-7-azabicyclo[2.2.1]heptane-7-carboxylic acid ethyl ester ethyl 2-(3,6-dichloro-4-pyridazinyl)-7-azabicyclo[2.2.1]heptane-7-carboxylate ethyl 3-(3,6-dichloropyridazin-4-yl)-7-azabicyclo[2.2.1]heptane-7-carboxylate ethyl 3-[3,6-bis(chloranyl)pyridazin-4-yl]-7-azabicyclo[2.2.1]heptane-7-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C13H15Cl2N3O2
InChI InChI=1S/C13H15Cl2N3O2/c1-2-20-13(19)18-7-3-4-10(18)8(5-7)9-6-11(14)16-17-12(9)15/h6-8,10H,2-5H2,1H3/t7-,8+,10+/m1/s1
InChIKey LDIBWAFIOOCUSR-WEDXCCLWSA-N
Molecular Weight 316.188 g/mol
SMILES [C@@]12(N([C@@](C[C@]2(c2c(nnc(c2)Cl)Cl)[H])(CC1)[H])C(=O)OCC)[H]
SPLASH splash10-0006-0903000000-644a9499413b5669b755
Source of Spectrum F2-44-53-18
Wiley ID 1639114