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(4S)-1-Methyl-1-{2-[2-(di-ortho-tolylphosphanyl)-phenyl]-4,5-dihydrooxazol-4-yl}-ethyl pivalate
SpectraBase Compound ID 7oct4tTsB9j
InChI InChI=1S/C31H36NO3P/c1-21-14-8-11-17-24(21)36(25-18-12-9-15-22(25)2)26-19-13-10-16-23(26)28-32-27(20-34-28)31(6,7)35-29(33)30(3,4)5/h8-19,27H,20H2,1-7H3/t27-/m0/s1
InChIKey MQBCDMUTIXZYHM-MHZLTWQESA-N
Mol Weight 501.6 g/mol
Molecular Formula C31H36NO3P
Exact Mass 501.243281 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 69Xa4miogkJ
Name (4S)-1-Methyl-1-{2-[2-(di-ortho-tolylphosphanyl)-phenyl]-4,5-dihydrooxazol-4-yl}-ethyl pivalate
Alternate Name(s) 2,2-Dimethyl-propionic acid 1-{(S)-2-[2-(di-o-tolyl-phosphanyl)-phenyl]-4,5-dihydro-oxazol-4-yl}-1-methyl-ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H36NO3P
InChI InChI=1S/C31H36NO3P/c1-21-14-8-11-17-24(21)36(25-18-12-9-15-22(25)2)26-19-13-10-16-23(26)28-32-27(20-34-28)31(6,7)35-29(33)30(3,4)5/h8-19,27H,20H2,1-7H3/t27-/m0/s1
InChIKey MQBCDMUTIXZYHM-MHZLTWQESA-N
Molecular Weight 501.607 g/mol
SMILES c1(P(c2c(C)cccc2)c2c(C)cccc2)c(C2=N[C@](C(OC(C(C)(C)C)=O)(C)C)(CO2)[H])cccc1
SPLASH splash10-0540-1009400000-caf379c9bb7add5f2f97
Source of Spectrum F-67-4362-15
Wiley ID 1686673