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3-(Tritylthio)acrylic acid, t-butyl ester

View entire compound with spectra: 1 NMR, and 2 MS (GC)

3-(Tritylthio)acrylic acid, t-butyl ester
SpectraBase Compound ID 2hI8ZkNsOKx
InChI InChI=1S/C26H26O2S/c1-25(2,3)28-24(27)19-20-29-26(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-20H,1-3H3/b20-19-
InChIKey HAMUPVLPHPWVLS-VXPUYCOJSA-N
Mol Weight 402.55 g/mol
Molecular Formula C26H26O2S
Exact Mass 402.165351 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Dv4nvNn6er
Name 3-(Tritylthio)acrylic acid, T-butyl ester
Comments Computed using HOSE algorithm
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Exact Mass 402.165351249 u
Formula C26H26O2S
InChI InChI=1S/C26H26O2S/c1-25(2,3)28-24(27)19-20-29-26(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-20H,1-3H3/b20-19-
InChIKey HAMUPVLPHPWVLS-VXPUYCOJSA-N
Molecular Weight 402.552 g/mol
SMILES C1=CC=C(C=C1)C(C=1C=CC=CC1)(S\C=C/C(=O)OC(C)(C)C)C1=CC=CC=C1