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3-(1',3'-Dithian-2'-yl)-5-oxo-6-(triphenylphosphoranylidenyl) hexanoate
SpectraBase Compound ID Iayf4tMxqSC
InChI InChI=1S/C29H31O3PS2/c1-2-32-28(31)22-29(34-19-12-20-35-29)21-24(30)23-33(25-13-6-3-7-14-25,26-15-8-4-9-16-26)27-17-10-5-11-18-27/h3-11,13-18,23H,2,12,19-22H2,1H3
InChIKey SYPCNKQYPQRMKH-UHFFFAOYSA-N
Mol Weight 522.66 g/mol
Molecular Formula C29H31O3PS2
Exact Mass 522.145224 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KcS6uqG3Wsq
Name 3-(1',3'-Dithian-2'-yl)-5-oxo-6-(triphenylphosphoranylidenyl) hexanoate
Alternate Name(s) 2-[2-(2-oxo-3-triphenylphosphoranylidenepropyl)-1,3-dithian-2-yl]acetic acid ethyl ester Ethyl 2-[2-[2-oxo-3-(triphenyl-$l^{5}-phosphanylidene)propyl]-1,3-dithian-2-yl]acetate Ethyl 2-[2-[2-oxidanylidene-3-(triphenyl-$l^{5}-phosphanylidene)propyl]-1,3-dithian-2-yl]ethanoate
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Formula C29H31O3PS2
InChI InChI=1S/C29H31O3PS2/c1-2-32-28(31)22-29(34-19-12-20-35-29)21-24(30)23-33(25-13-6-3-7-14-25,26-15-8-4-9-16-26)27-17-10-5-11-18-27/h3-11,13-18,23H,2,12,19-22H2,1H3
InChIKey SYPCNKQYPQRMKH-UHFFFAOYSA-N
Molecular Weight 522.658 g/mol
SMILES C(=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(CC1(CC(=O)OCC)SCCCS1)=O
SPLASH splash10-0w29-0649400000-8ada078eb35b0c245689
Source of Spectrum SK-26-665-17
Wiley ID 866981