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(+/-)-ETHYL-5-METHYL-3-OXO-4-PHTHALIMIDO-2-TRIBUTYL-PHOSPHORANYLIDENE-HEXANOATE
SpectraBase Compound ID A0GWal7jQ1n
InChI InChI=1S/C29H44NO5P/c1-7-11-18-36(19-12-8-2,20-13-9-3)26(29(34)35-10-4)25(31)24(21(5)6)30-27(32)22-16-14-15-17-23(22)28(30)33/h14-17,21,24H,7-13,18-20H2,1-6H3/t24-/m0/s1
InChIKey PFQPPYOMRZOKBE-DEOSSOPVSA-N
Mol Weight 517.6 g/mol
Molecular Formula C29H44NO5P
Exact Mass 517.295711 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ATTuwnsitT9
Name 3-keto-5-methyl-4-phthalimido-2-tributylphosphoranylidene-hexanoic acid ethyl ester
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Formula C29H44NO5P
InChI InChI=1S/C29H44NO5P/c1-7-11-18-36(19-12-8-2,20-13-9-3)26(29(34)35-10-4)25(31)24(21(5)6)30-27(32)22-16-14-15-17-23(22)28(30)33/h14-17,21,24H,7-13,18-20H2,1-6H3/t24-/m0/s1
InChIKey PFQPPYOMRZOKBE-DEOSSOPVSA-N
Molecular Weight 517.647 g/mol
SMILES C1(N(C(c2ccccc12)=O)[C@](C(C(=P(CCCC)(CCCC)CCCC)C(=O)OCC)=O)(C(C)C)[H])=O
SPLASH splash10-014i-0049000000-39eedaee8528fd81cd08
Source of Spectrum KC-0-480-13
Synonyms 4-(1,3-dioxo-2-isoindolyl)-5-methyl-3-oxo-2-tributylphosphoranylidenehexanoic acid ethyl ester
Wiley ID 785201