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1,2-Epoxy-1-(4'-methoxymethyl)-5'-phenyl-2'-oxazolin-2'-yl)-decane

View entire compound with spectra: 1 MS (GC)

1,2-Epoxy-1-(4'-methoxymethyl)-5'-phenyl-2'-oxazolin-2'-yl)-decane
SpectraBase Compound ID CqxsU4n9uCQ
InChI InChI=1S/C21H31NO3/c1-3-4-5-6-7-11-14-18-20(24-18)21-22-17(15-23-2)19(25-21)16-12-9-8-10-13-16/h8-10,12-13,17-20H,3-7,11,14-15H2,1-2H3/t17-,18+,19-,20-/m0/s1
InChIKey YXBXHTRBVHVDSI-YRPNKDGESA-N
Mol Weight 345.48 g/mol
Molecular Formula C21H31NO3
Exact Mass 345.230394 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6WjQnpbW2On
Name 1,2-Epoxy-1-(4'-methoxymethyl)-5'-phenyl-2'-oxazolin-2'-yl)-decane
Alternate Name(s) (4S,5S)-4-(methoxymethyl)-2-[(2S,3R)-3-octyl-2-oxiranyl]-5-phenyl-4,5-dihydrooxazole (4S,5S)-4-(methoxymethyl)-2-[(2S,3R)-3-octyloxiran-2-yl]-5-phenyl-4,5-dihydrooxazole (4S,5S)-4-(methoxymethyl)-2-[(2S,3R)-3-octyloxiran-2-yl]-5-phenyl-4,5-dihydro-1,3-oxazole
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Formula C21H31NO3
InChI InChI=1S/C21H31NO3/c1-3-4-5-6-7-11-14-18-20(24-18)21-22-17(15-23-2)19(25-21)16-12-9-8-10-13-16/h8-10,12-13,17-20H,3-7,11,14-15H2,1-2H3/t17-,18+,19-,20-/m0/s1
InChIKey YXBXHTRBVHVDSI-YRPNKDGESA-N
Molecular Weight 345.483 g/mol
SMILES [C@@]1(C2=N[C@@](COC)([C@@](O2)(c2ccccc2)[H])[H])(O[C@@]1(CCCCCCCC)[H])[H]
SPLASH splash10-0ufu-5928000000-8f9e4512d0e229c78e95
Source of Spectrum K1-2001-2038-7
Wiley ID 846274