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ETHYL-(4S)-6-METHYL-3-OXO-4-PHTHALIMIDO-2-TRIBUTYL-PHOSPHORANYLIDENE-HEPTANOATE
SpectraBase Compound ID ClpEH8lAr9y
InChI InChI=1S/C30H46NO5P/c1-7-11-18-37(19-12-8-2,20-13-9-3)27(30(35)36-10-4)26(32)25(21-22(5)6)31-28(33)23-16-14-15-17-24(23)29(31)34/h14-17,22,25H,7-13,18-21H2,1-6H3/t25-/m0/s1
InChIKey ZHLXUFMZLQJIRI-VWLOTQADSA-N
Mol Weight 531.7 g/mol
Molecular Formula C30H46NO5P
Exact Mass 531.311361 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IsjS9j2BEnM
Name (4S)-3-keto-6-methyl-4-phthalimido-2-tributylphosphoranylidene-enanthic acid ethyl ester
Alternate Name(s) (4S)-4-(1,3-dioxo-2-isoindolyl)-6-methyl-3-oxo-2-tributylphosphoranylideneheptanoic acid ethyl ester Ethyl (4S)-4-(1,3-dioxoisoindol-2-yl)-6-methyl-3-oxo-2-(tributyl-$l^{5}-phosphanylidene)heptanoate Ethyl (4S)-4-(1,3-dioxoisoindolin-2-yl)-6-methyl-3-oxo-2-(tributyl-$l^{5}-phosphanylidene)heptanoate
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Formula C30H46NO5P
InChI InChI=1S/C30H46NO5P/c1-7-11-18-37(19-12-8-2,20-13-9-3)27(30(35)36-10-4)26(32)25(21-22(5)6)31-28(33)23-16-14-15-17-24(23)29(31)34/h14-17,22,25H,7-13,18-21H2,1-6H3/t25-/m0/s1
InChIKey ZHLXUFMZLQJIRI-VWLOTQADSA-N
Molecular Weight 531.674 g/mol
SMILES C1(N(C(c2ccccc12)=O)[C@](C(C(=P(CCCC)(CCCC)CCCC)C(=O)OCC)=O)(CC(C)C)[H])=O
SPLASH splash10-014i-0759100000-41fa28b69438595e589f
Source of Spectrum KC-0-480-13
Wiley ID 785200