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(5R,6S)-5-methyl-2-phenyl-6-triphenylstannyl-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione
SpectraBase Compound ID G6rWcv8OmlB
InChI InChI=1S/C12H12N3O2.3C6H5.Sn/c1-9-7-8-13-11(16)14(12(17)15(9)13)10-5-3-2-4-6-10;3*1-2-4-6-5-3-1;/h2-7,9H,8H2,1H3;3*1-5H;/t9-;;;;/m1..../s1
InChIKey XLFNKDJSNYJMJP-RASHCQHBSA-N
Mol Weight 580.28 g/mol
Molecular Formula C30H27N3O2Sn
Exact Mass 581.112529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GAwShDz5wrB
Name (5R,6S)-5-methyl-2-phenyl-6-triphenylstannyl-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione
Comments Less than 3 mono-isotopic peaks
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Formula C30H27N3O2Sn
InChI InChI=1S/C12H12N3O2.3C6H5.Sn/c1-9-7-8-13-11(16)14(12(17)15(9)13)10-5-3-2-4-6-10;3*1-2-4-6-5-3-1;/h2-7,9H,8H2,1H3;3*1-5H;/t9-;;;;/m1..../s1
InChIKey XLFNKDJSNYJMJP-RASHCQHBSA-N
Molecular Weight 580.276 g/mol
SMILES C1(N2N(C(N1c1ccccc1)=O)[C@@]([C@@](C2)([Sn](c1ccccc1)(c1ccccc1)c1ccccc1)[H])(C)[H])=O
SPLASH splash10-0udi-0009000000-5908e4a0cb9dca8307c9
Source of Spectrum KC-0-2019-25
Synonyms (5R,6S)-5-methyl-2-phenyl-6-triphenylstannyl-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazole-1,3-quinone
Wiley ID 820710