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2-[2,4,6-trimethyl-3,5-bis[[(4S)-4-phenyl-2-oxazolin-2-yl]methyl]phenyl]acetonitrile

View entire compound with spectra: 1 MS (GC)

2-[2,4,6-trimethyl-3,5-bis[[(4S)-4-phenyl-2-oxazolin-2-yl]methyl]phenyl]acetonitrile
SpectraBase Compound ID 9LH6cKwy1UF
InChI InChI=1S/C31H31N3O2/c1-20-25(14-15-32)21(2)27(17-31-34-29(19-36-31)24-12-8-5-9-13-24)22(3)26(20)16-30-33-28(18-35-30)23-10-6-4-7-11-23/h4-13,28-29H,14,16-19H2,1-3H3/t28-,29-/m1/s1
InChIKey IGIMKFORMRKXNK-FQLXRVMXSA-N
Mol Weight 477.61 g/mol
Molecular Formula C31H31N3O2
Exact Mass 477.241627 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GJlhlxUU8dT
Name 2-[2,4,6-trimethyl-3,5-bis[[(4S)-4-phenyl-2-oxazolin-2-yl]methyl]phenyl]acetonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H31N3O2
InChI InChI=1S/C31H31N3O2/c1-20-25(14-15-32)21(2)27(17-31-34-29(19-36-31)24-12-8-5-9-13-24)22(3)26(20)16-30-33-28(18-35-30)23-10-6-4-7-11-23/h4-13,28-29H,14,16-19H2,1-3H3/t28-,29-/m1/s1
InChIKey IGIMKFORMRKXNK-FQLXRVMXSA-N
Molecular Weight 477.608 g/mol
SMILES c1(c(c(CC2=N[C@@](c3ccccc3)(CO2)[H])c(c(c1C)CC#N)C)C)CC1=N[C@@](c2ccccc2)(CO1)[H]
SPLASH splash10-004i-0002900000-b0b6eb8cbbba1d1c241e
Source of Spectrum F-70-7231-5
Synonyms 2-[2,4,6-trimethyl-3,5-bis[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]acetonitrile 2-[2,4,6-trimethyl-3,5-bis[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]ethanenitrile 2-[2,4,6-trimethyl-3,5-bis[[(4S)-4-phenyl-4,5-dihydrooxazol-2-yl]methyl]phenyl]acetonitrile
Wiley ID 1597432