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[1-(2,4,6-Trimethylcinnamoyl)prop-1-ylidene]triphenylphosphorane
SpectraBase Compound ID Jyqum4JxWBB
InChI InChI=1S/C33H33OP/c1-5-33(32(34)22-21-31-26(3)23-25(2)24-27(31)4)35(28-15-9-6-10-16-28,29-17-11-7-12-18-29)30-19-13-8-14-20-30/h6-24H,5H2,1-4H3/b22-21+
InChIKey SRIICPAPIKWUOI-QURGRASLSA-N
Mol Weight 476.6 g/mol
Molecular Formula C33H33OP
Exact Mass 476.226903 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9TOygEmhVhK
Name [1-(2,4,6-Trimethylcinnamoyl)prop-1-ylidene]triphenylphosphorane
Comments Computed using HOSE algorithm
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Exact Mass 476.226902680 u
Formula C33H33OP
InChI InChI=1S/C33H33OP/c1-5-33(32(34)22-21-31-26(3)23-25(2)24-27(31)4)35(28-15-9-6-10-16-28,29-17-11-7-12-18-29)30-19-13-8-14-20-30/h6-24H,5H2,1-4H3/b22-21+
InChIKey SRIICPAPIKWUOI-QURGRASLSA-N
Molecular Weight 476.600 g/mol
SMILES C(=P(C1=CC=CC=C1)(C=1C=CC=CC1)C1=CC=CC=C1)(C(\C=C\C=1C(=CC(=CC1C)C)C)=O)CC