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2-(1-benzotriazolyl)-1-[2-(methylthio)phenyl]-2-triphenylphosphoranylideneethanone
SpectraBase Compound ID AHLsQItvHLc
InChI InChI=1S/C33H26N3OPS/c1-39-31-24-14-11-21-28(31)32(37)33(36-30-23-13-12-22-29(30)34-35-36)38(25-15-5-2-6-16-25,26-17-7-3-8-18-26)27-19-9-4-10-20-27/h2-24H,1H3
InChIKey HAFTUIPXKXIGSD-UHFFFAOYSA-N
Mol Weight 543.6 g/mol
Molecular Formula C33H26N3OPS
Exact Mass 543.153421 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4yUC8CFu5cb
Name 2-(1-benzotriazolyl)-1-[2-(methylthio)phenyl]-2-triphenylphosphoranylideneethanone
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Formula C33H26N3OPS
InChI InChI=1S/C33H26N3OPS/c1-39-31-24-14-11-21-28(31)32(37)33(36-30-23-13-12-22-29(30)34-35-36)38(25-15-5-2-6-16-25,26-17-7-3-8-18-26)27-19-9-4-10-20-27/h2-24H,1H3
InChIKey HAFTUIPXKXIGSD-UHFFFAOYSA-N
Molecular Weight 543.625 g/mol
SMILES C([n]1nnc2c1cccc2)(C(c1c(SC)cccc1)=O)=P(c1ccccc1)(c1ccccc1)c1ccccc1
SPLASH splash10-03e9-0980000000-3763472c031885d6406d
Source of Spectrum KC-0-3110-2
Synonyms 2-(benzotriazol-1-yl)-1-[2-(methylthio)phenyl]-2-triphenylphosphoranylidene-ethanone
Wiley ID 823685