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Dimethyl 2-(1,3-Benzothiazol-2-ylamino)-3-(triphenylphosphoranylidene)butanedioate
SpectraBase Compound ID DDwjeJJVxTo
InChI InChI=1S/C31H27N2O4PS/c1-36-29(34)27(33-31-32-25-20-12-13-21-26(25)39-31)28(30(35)37-2)38(22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24/h3-21,27H,1-2H3,(H,32,33)
InChIKey OEOATWCWFJXXNL-UHFFFAOYSA-N
Mol Weight 554.6 g/mol
Molecular Formula C31H27N2O4PS
Exact Mass 554.142916 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8vQvRL9MV7c
Name Dimethyl 2-(1,3-Benzothiazol-2-ylamino)-3-(triphenylphosphoranylidene)butanedioate
Alternate Name(s) Dimethyl 2-(1,3-benzothiazol-2-ylamino)-3-(triphenylphosphoranylidene)succinate
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Formula C31H27N2O4PS
InChI InChI=1S/C31H27N2O4PS/c1-36-29(34)27(33-31-32-25-20-12-13-21-26(25)39-31)28(30(35)37-2)38(22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24/h3-21,27H,1-2H3,(H,32,33)
InChIKey OEOATWCWFJXXNL-UHFFFAOYSA-N
Molecular Weight 554.601 g/mol
SMILES N(c1nc2ccccc2s1)C(C(=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OC)C(=O)OC
SPLASH splash10-0006-9200000000-ae96ed3895fb577e5204
Source of Spectrum C5-2002-1666-2
Wiley ID 1617738