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5,9-Etheno-6,7,8-metheno-1H,5H-cyclopenta[d][1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dione, 5,9,11,12-tetrachloro-5a,6,7,8,8a,9-hexahydro-2-methyl-

View entire compound with spectra: 1 MS (GC)

5,9-Etheno-6,7,8-metheno-1H,5H-cyclopenta[d][1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dione, 5,9,11,12-tetrachloro-5a,6,7,8,8a,9-hexahydro-2-methyl-
SpectraBase Compound ID 1ITdyPylrW3
InChI InChI=1S/C13H9Cl4N3O2/c1-18-10(21)19-12(16)6-4-2-3(4)5(2)7(6)13(17,9(15)8(12)14)20(19)11(18)22/h2-7H,1H3/t2?,3?,4?,5?,6?,7?,12-,13+
InChIKey UQABLWVVZBUYIE-SZNUVJECSA-N
Mol Weight 381.0 g/mol
Molecular Formula C13H9Cl4N3O2
Exact Mass 378.944887 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kw0Jxav9HQp
Name 5,9-Etheno-6,7,8-metheno-1H,5H-cyclopenta[d][1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dione, 5,9,11,12-tetrachloro-5a,6,7,8,8a,9-hexahydro-2-methyl-
Alternate Name(s) 1,8,14,15-Tetrachlor-11-methyl-9,11,13-triazahexacyclo[6.5.2.0(2,7).0(3,5).0(4,6).0(9,13)]pentadec-14-en-10,12-dion 1,8,14,15-tetrachloro-11-methyl-9,11,13-triazahexacyclo[6.5.2.0(2,7).0(3,5).0(4,6).0(9,13)]pentadec-14-ene-10,12-dione
CAS Registry Number 96598-03-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H9Cl4N3O2
InChI InChI=1S/C13H9Cl4N3O2/c1-18-10(21)19-12(16)6-4-2-3(4)5(2)7(6)13(17,9(15)8(12)14)20(19)11(18)22/h2-7H,1H3/t2?,3?,4?,5?,6?,7?,12-,13+
InChIKey UQABLWVVZBUYIE-SZNUVJECSA-N
Molecular Weight 381.046 g/mol
SMILES [C@@]12(N3N([C@@](C4C5C6C(C24)C56)(C(=C1Cl)Cl)Cl)C(N(C3=O)C)=O)Cl
SPLASH splash10-0udi-9200000000-5717091119e8fb9509ed
Source of Spectrum K-118-994-18
Wiley ID 1359149