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tert-Butyl 3-(3-(4-t-butylphenyl)-1-phenylprop-2-ynylidene)-2-oxoindoline-1-carboxylate
SpectraBase Compound ID 5F1giqJguu2
InChI InChI=1S/C32H31NO3/c1-31(2,3)24-19-16-22(17-20-24)18-21-25(23-12-8-7-9-13-23)28-26-14-10-11-15-27(26)33(29(28)34)30(35)36-32(4,5)6/h7-17,19-20H,1-6H3
InChIKey CCGVKSJZQYJVSE-UHFFFAOYSA-N
Mol Weight 477.6 g/mol
Molecular Formula C32H31NO3
Exact Mass 477.230394 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BAC2pMRKKDg
Name tert-Butyl 3-(3-(4-t-butylphenyl)-1-phenylprop-2-ynylidene)-2-oxoindoline-1-carboxylate
Appearance Yellow fluorescent solid
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Exact Mass 477.230393859 u
Formula C32H31NO3
InChI InChI=1S/C32H31NO3/c1-31(2,3)24-19-16-22(17-20-24)18-21-25(23-12-8-7-9-13-23)28-26-14-10-11-15-27(26)33(29(28)34)30(35)36-32(4,5)6/h7-17,19-20H,1-6H3
InChIKey CCGVKSJZQYJVSE-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.201802237
Molecular Weight 477.604 g/mol
Quality 43
SMILES C1(N(C=2C=CC=CC2C1=C(C#CC=1C=CC(=CC1)C(C)(C)C)C=1C=CC=CC1)C(=O)OC(C)(C)C)=O
SPLASH splash10-004i-1009000000-f7ab40e7a5b45d40a530
Sample Comments E/Z = 88:12
Source of Spectrum QE-24-SM13-5o (DOI: 10.1002/chem.201802237)
Wiley ID 1901716