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Butanedioic acid, 2-(triphenylphosphoranylidene)-, dioctyl ester
SpectraBase Compound ID I8d6nNqFVWX
InChI InChI=1S/C38H51O4P/c1-3-5-7-9-11-22-30-41-37(39)32-36(38(40)42-31-23-12-10-8-6-4-2)43(33-24-16-13-17-25-33,34-26-18-14-19-27-34)35-28-20-15-21-29-35/h13-21,24-29H,3-12,22-23,30-32H2,1-2H3
InChIKey PSSWVSVGDPFKLT-UHFFFAOYSA-N
Mol Weight 602.8 g/mol
Molecular Formula C38H51O4P
Exact Mass 602.352497 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EjmjX0eksDQ
Name Butanedioic acid, 2-(triphenylphosphoranylidene)-, dioctyl ester
Alternate Name(s) Dioctyl 2-(triphenylphosphoranylidene)succinate Dioctyl 2-(triphenyl-.lambda.5-phosphanylidene)butanedioate 2-Triphenylphosphoranylidenebutanedioic acid dioctyl ester Dioctyl 2-(triphenyl-$l^{5}-phosphanylidene)butanedioate
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Formula C38H51O4P
InChI InChI=1S/C38H51O4P/c1-3-5-7-9-11-22-30-41-37(39)32-36(38(40)42-31-23-12-10-8-6-4-2)43(33-24-16-13-17-25-33,34-26-18-14-19-27-34)35-28-20-15-21-29-35/h13-21,24-29H,3-12,22-23,30-32H2,1-2H3
InChIKey PSSWVSVGDPFKLT-UHFFFAOYSA-N
Molecular Weight 602.796 g/mol
SMILES c1(P(=C(CC(OCCCCCCCC)=O)C(=O)OCCCCCCCC)(c2ccccc2)c2ccccc2)ccccc1
SPLASH splash10-01pk-7665901000-4717071715da8c80d001
Source of Spectrum JX-2015-4-1307
Wiley ID 1726696