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(3R,5S,6R)-3-allyl-4,5-dimethyl-3,6-diphenyl-morpholin-2-one
SpectraBase Compound ID GHEJIQAUNFg
InChI InChI=1S/C21H23NO2/c1-4-15-21(18-13-9-6-10-14-18)20(23)24-19(16(2)22(21)3)17-11-7-5-8-12-17/h4-14,16,19H,1,15H2,2-3H3/t16-,19-,21+/m0/s1
InChIKey OTBFKALDQAGOFY-NBHGPNQESA-N
Mol Weight 321.42 g/mol
Molecular Formula C21H23NO2
Exact Mass 321.172879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LZrJvLFDMFX
Name (3R,5S,6R)-3-allyl-4,5-dimethyl-3,6-diphenyl-morpholin-2-one
Alternate Name(s) (3R,5S,6R)-4,5-dimethyl-3,6-diphenyl-3-prop-2-enyl-2-morpholinone (3R,5S,6R)-4,5-dimethyl-3,6-diphenyl-3-prop-2-enyl-morpholin-2-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23NO2
InChI InChI=1S/C21H23NO2/c1-4-15-21(18-13-9-6-10-14-18)20(23)24-19(16(2)22(21)3)17-11-7-5-8-12-17/h4-14,16,19H,1,15H2,2-3H3/t16-,19-,21+/m0/s1
InChIKey OTBFKALDQAGOFY-NBHGPNQESA-N
Molecular Weight 321.420 g/mol
SMILES [C@]1(N([C@]([C@](OC1=O)(c1ccccc1)[H])(C)[H])C)(c1ccccc1)CC=C
SPLASH splash10-001i-0090000000-3c1c9e3c59c0df48af50
Source of Spectrum KC-0-3590-8
Wiley ID 782814