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Dimethyl 7-Methyl-2-(1,3-benzothiazol-2-ylamino)-3-(triphenylphosphoranylidene)butanedioate
SpectraBase Compound ID A8jjQfB7zfL
InChI InChI=1S/C32H29N2O4PS/c1-22-14-13-21-26-29(22)40-32(33-26)34-27(30(35)37-2)28(31(36)38-3)39(23-15-7-4-8-16-23,24-17-9-5-10-18-24)25-19-11-6-12-20-25/h4-21,27H,1-3H3,(H,33,34)
InChIKey BIJLURPJVJUBAU-UHFFFAOYSA-N
Mol Weight 568.6 g/mol
Molecular Formula C32H29N2O4PS
Exact Mass 568.158566 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ApTa8xyuZE
Name Dimethyl 7-Methyl-2-(1,3-benzothiazol-2-ylamino)-3-(triphenylphosphoranylidene)butanedioate
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Formula C32H29N2O4PS
InChI InChI=1S/C32H29N2O4PS/c1-22-14-13-21-26-29(22)40-32(33-26)34-27(30(35)37-2)28(31(36)38-3)39(23-15-7-4-8-16-23,24-17-9-5-10-18-24)25-19-11-6-12-20-25/h4-21,27H,1-3H3,(H,33,34)
InChIKey BIJLURPJVJUBAU-UHFFFAOYSA-N
Molecular Weight 568.628 g/mol
SMILES N(c1nc2cccc(c2s1)C)C(C(=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OC)C(=O)OC
SPLASH splash10-01p6-9400000000-2af01d28ac78c98d2432
Source of Spectrum C5-2002-1666-2
Synonyms Dimethyl 2-[(7-methyl-1,3-benzothiazol-2-yl)amino]-3-(triphenylphosphoranylidene)succinate
Wiley ID 1617737