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Butanedioic acid, 2-(triphenylphosphoranylidene)-, dibutyl ester
SpectraBase Compound ID k9TsyhvErD
InChI InChI=1S/C30H35O4P/c1-3-5-22-33-29(31)24-28(30(32)34-23-6-4-2)35(25-16-10-7-11-17-25,26-18-12-8-13-19-26)27-20-14-9-15-21-27/h7-21H,3-6,22-24H2,1-2H3
InChIKey DAFUSLOMBKTQOM-UHFFFAOYSA-N
Mol Weight 490.6 g/mol
Molecular Formula C30H35O4P
Exact Mass 490.227297 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BpwbbSc9vAT
Name Butanedioic acid, 2-(triphenylphosphoranylidene)-, dibutyl ester
Comments Computed using HOSE algorithm
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Exact Mass 490.227296601 u
Formula C30H35O4P
InChI InChI=1S/C30H35O4P/c1-3-5-22-33-29(31)24-28(30(32)34-23-6-4-2)35(25-16-10-7-11-17-25,26-18-12-8-13-19-26)27-20-14-9-15-21-27/h7-21H,3-6,22-24H2,1-2H3
InChIKey DAFUSLOMBKTQOM-UHFFFAOYSA-N
Molecular Weight 490.580 g/mol
SMILES C=1(P(=C(CC(OCCCC)=O)C(=O)OCCCC)(C=2C=CC=CC2)C2=CC=CC=C2)C=CC=CC1