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phenyl 4-(2-methoxyphenyl)-2-methyl-4-(1-methyl-1H-indol-3-yl)butanoate
SpectraBase Compound ID 5dgBej6RaD3
InChI InChI=1S/C27H27NO3/c1-19(27(29)31-20-11-5-4-6-12-20)17-23(22-14-8-10-16-26(22)30-3)24-18-28(2)25-15-9-7-13-21(24)25/h4-16,18-19,23H,17H2,1-3H3
InChIKey KZXABWGPZVYKIG-UHFFFAOYSA-N
Mol Weight 413.52 g/mol
Molecular Formula C27H27NO3
Exact Mass 413.199094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DlzUhOtC6b6
Name phenyl 4-(2-methoxyphenyl)-2-methyl-4-(1-methyl-1H-indol-3-yl)butanoate
Appearance Light yellow oil
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Exact Mass 413.199093730 u
Formula C27H27NO3
InChI InChI=1S/C27H27NO3/c1-19(27(29)31-20-11-5-4-6-12-20)17-23(22-14-8-10-16-26(22)30-3)24-18-28(2)25-15-9-7-13-21(24)25/h4-16,18-19,23H,17H2,1-3H3
InChIKey KZXABWGPZVYKIG-UHFFFAOYSA-N
Instrument Name LRMS
Ionization Type EI
Literature Reference DOI 10.1002/anie.201511624
Molecular Weight 413.517 g/mol
Reported Formula C27H27NO3
SMILES C1(=CC=CC=C1)OC(C(CC(C1=CN(C2=C1C=CC=C2)C)C1=C(C=CC=C1)OC)C)=O
SPLASH splash10-0uxr-0095300000-e78a0bfae2f9bf0d6451
Sample Comments dr = 1.5:1
Source of Spectrum ACI-55-SM18-11 (DOI: 10.1002/anie.201511624)
Wiley ID 1895421