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phenyl 4-(3-methoxyphenyl)-2-methyl-4-(1-methyl-1H-indol-3-yl)butanoate
SpectraBase Compound ID ClD9K1tVund
InChI InChI=1S/C27H27NO3/c1-19(27(29)31-21-11-5-4-6-12-21)16-24(20-10-9-13-22(17-20)30-3)25-18-28(2)26-15-8-7-14-23(25)26/h4-15,17-19,24H,16H2,1-3H3
InChIKey DCWTVIUVIYQMCP-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 BGjN99B5BTp
Name phenyl 4-(3-methoxyphenyl)-2-methyl-4-(1-methyl-1H-indol-3-yl)butanoate
Appearance Light yellow solid
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Exact Mass 413.199093730 u
Formula C27H27NO3
InChI InChI=1S/C27H27NO3/c1-19(27(29)31-21-11-5-4-6-12-21)16-24(20-10-9-13-22(17-20)30-3)25-18-28(2)26-15-8-7-14-23(25)26/h4-15,17-19,24H,16H2,1-3H3
InChIKey DCWTVIUVIYQMCP-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=CC(=CC=C1)OC)C)=O
SPLASH splash10-0uxr-0094400000-e1c6bc815c964f794579
Sample Comments dr = 4:1
Source of Spectrum ACI-55-SM17-10 (DOI: 10.1002/anie.201511624)
Wiley ID 1895419