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2-Tert-butyl-4-(triphenylphosphonio)-1,3-oxazole-5-thiolate

View entire compound with spectra: 2 NMR

2-Tert-butyl-4-(triphenylphosphonio)-1,3-oxazole-5-thiolate
SpectraBase Compound ID 87uj4zDqdrC
InChI InChI=1S/C25H24NOPS/c1-25(2,3)24-26-22(23(29)27-24)28(19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21/h4-18H,1-3H3
InChIKey OWMMCPGRLNFMSV-UHFFFAOYSA-N
Mol Weight 417.51 g/mol
Molecular Formula C25H24NOPS
Exact Mass 417.131623 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E5cYmpOSsA9
Name 2-Tert-butyl-4-(triphenylphosphonio)-1,3-oxazole-5-thiolate
Comments Computed using HOSE algorithm
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Exact Mass 417.131622568 u
Formula C25H24NOPS
InChI InChI=1S/C25H24NOPS/c1-25(2,3)24-26-22(23(29)27-24)28(19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21/h4-18H,1-3H3
InChIKey OWMMCPGRLNFMSV-UHFFFAOYSA-N
Molecular Weight 417.507 g/mol
SMILES C=1(N=C(C(C)(C)C)OC1[S-])[P+](C=1C=CC=CC1)(C1=CC=CC=C1)C=1C=CC=CC1