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3-Iodo-2-azido-2,3-dimethyl-1,2,3,4,6,13-hexahydrobenzo[g]pyridazino[1,2-b]phthalazine-6,13-dione isomer
SpectraBase Compound ID 97zQKa0RLoz
InChI InChI=1S/C18H16IN5O2/c1-17(19)9-23-15(25)13-7-11-5-3-4-6-12(11)8-14(13)16(26)24(23)10-18(17,2)21-22-20/h3-8H,9-10H2,1-2H3
InChIKey VCZZKNBFHASBML-UHFFFAOYSA-N
Mol Weight 461.26 g/mol
Molecular Formula C18H16IN5O2
Exact Mass 461.03487 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IpW6fsZQTdL
Name 3-Iodo-2-azido-2,3-dimethyl-1,2,3,4,6,13-hexahydrobenzo[g]pyridazino[1,2-b]phthalazine-6,13-dione isomer
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Formula C18H16IN5O2
InChI InChI=1S/C18H16IN5O2/c1-17(19)9-23-15(25)13-7-11-5-3-4-6-12(11)8-14(13)16(26)24(23)10-18(17,2)21-22-20/h3-8H,9-10H2,1-2H3
InChIKey VCZZKNBFHASBML-UHFFFAOYSA-N
Molecular Weight 461.263 g/mol
SMILES C1(N2N(C(c3c1cc1c(c3)cccc1)=O)CC(C(C2)(I)C)(N=[N+]=[N-])C)=O
SPLASH splash10-01ox-0090700000-526a61535b3ff2f5a711
Source of Spectrum F-49-246-10
Synonyms 2-Azido-3-iodo-2,3-dimethyl-1,2,3,4-tetrahydrobenzo[g]pyridazino[1,2-b]phthalazine-6,13-dione
Wiley ID 1390730