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[3,5-Bis-((S)-4-isopropyl-4,5-dihydro-oxazol-2-ylmethyl)-2,4,6-trimethyl-phenyl]-acetonitrile
SpectraBase Compound ID HyDyeIZuuC5
InChI InChI=1S/C25H35N3O2/c1-14(2)22-12-29-24(27-22)10-20-16(5)19(8-9-26)17(6)21(18(20)7)11-25-28-23(13-30-25)15(3)4/h14-15,22-23H,8,10-13H2,1-7H3/t22-,23-/m1/s1
InChIKey MNKMQACFTSFYQC-DHIUTWEWSA-N
Mol Weight 409.6 g/mol
Molecular Formula C25H35N3O2
Exact Mass 409.272927 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9SjNyAUzstg
Name [3,5-Bis-((S)-4-isopropyl-4,5-dihydro-oxazol-2-ylmethyl)-2,4,6-trimethyl-phenyl]-acetonitrile
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Formula C25H35N3O2
InChI InChI=1S/C25H35N3O2/c1-14(2)22-12-29-24(27-22)10-20-16(5)19(8-9-26)17(6)21(18(20)7)11-25-28-23(13-30-25)15(3)4/h14-15,22-23H,8,10-13H2,1-7H3/t22-,23-/m1/s1
InChIKey MNKMQACFTSFYQC-DHIUTWEWSA-N
Molecular Weight 409.574 g/mol
SMILES c1(c(c(CC2=N[C@@](C(C)C)(CO2)[H])c(c(c1C)CC#N)C)C)CC1=N[C@@](C(C)C)(CO1)[H]
SPLASH splash10-066r-0009600000-b031b8d400bde03f5423
Source of Spectrum Y1-45-6837-1
Synonyms (3,5-bis{[(4S)-4-isopropyl-4,5-dihydro-1,3-oxazol-2-yl]methyl}-2,4,6-trimethylphenyl)acetonitrile 1,3-Bis(4-isopropyloxazolin-2-yl)methyl-2,4,6-trimethyl-5-cyanomethylbenzene
Wiley ID 1622185