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(3R,5S,6R)-3-(2-bromobenzyl)-4,5-dimethyl-6-phenyl-3-[(E)-styryl]morpholin-2-one
SpectraBase Compound ID 6bzbu7eevm4
InChI InChI=1S/C27H26BrNO2/c1-20-25(22-13-7-4-8-14-22)31-26(30)27(29(20)2,18-17-21-11-5-3-6-12-21)19-23-15-9-10-16-24(23)28/h3-18,20,25H,19H2,1-2H3/b18-17+/t20-,25-,27-/m0/s1
InChIKey YAEGIMIXMSLFJR-KBJRHGHVSA-N
Mol Weight 476.41 g/mol
Molecular Formula C27H26BrNO2
Exact Mass 475.114692 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4T1cd5dBQPq
Name (3R,5S,6R)-3-(2-bromobenzyl)-4,5-dimethyl-6-phenyl-3-[(E)-styryl]morpholin-2-one
Alternate Name(s) (3R,5S,6R)-3-[(2-bromophenyl)methyl]-4,5-dimethyl-6-phenyl-3-[(E)-2-phenylethenyl]-2-morpholinone (3R,5S,6R)-3-[(2-bromophenyl)methyl]-4,5-dimethyl-6-phenyl-3-[(E)-2-phenylethenyl]morpholin-2-one (3R,5S,6R)-3-[(2-bromophenyl)methyl]-4,5-dimethyl-6-phenyl-3-[(E)-styryl]morpholin-2-one
Comments Less than 3 mono-isotopic peaks
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Formula C27H26BrNO2
InChI InChI=1S/C27H26BrNO2/c1-20-25(22-13-7-4-8-14-22)31-26(30)27(29(20)2,18-17-21-11-5-3-6-12-21)19-23-15-9-10-16-24(23)28/h3-18,20,25H,19H2,1-2H3/b18-17+/t20-,25-,27-/m0/s1
InChIKey YAEGIMIXMSLFJR-KBJRHGHVSA-N
Molecular Weight 476.414 g/mol
SMILES [C@]1(N([C@@](C)([C@](OC1=O)(c1ccccc1)[H])[H])C)(\C=C\c1ccccc1)Cc1c(Br)cccc1
SPLASH splash10-0a4i-0009000000-c07865d2cf305d537b43
Source of Spectrum KC-0-3591-15
Wiley ID 782809