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phenyl 2-methyl-4-(1-methyl-1H-indol-3-yl)-4-phenylpentanoate
SpectraBase Compound ID 9uQhTZ8eJwj
InChI InChI=1S/C27H27NO2/c1-20(26(29)30-22-14-8-5-9-15-22)18-27(2,21-12-6-4-7-13-21)24-19-28(3)25-17-11-10-16-23(24)25/h4-17,19-20H,18H2,1-3H3
InChIKey SBMBVSCVSMGAMW-UHFFFAOYSA-N
Mol Weight 397.52 g/mol
Molecular Formula C27H27NO2
Exact Mass 397.204179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IfxvszuEIWl
Name phenyl 2-methyl-4-(1-methyl-1H-indol-3-yl)-4-phenylpentanoate
Appearance Light yellow oil
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Exact Mass 397.204179111 u
Formula C27H27NO2
InChI InChI=1S/C27H27NO2/c1-20(26(29)30-22-14-8-5-9-15-22)18-27(2,21-12-6-4-7-13-21)24-19-28(3)25-17-11-10-16-23(24)25/h4-17,19-20H,18H2,1-3H3
InChIKey SBMBVSCVSMGAMW-UHFFFAOYSA-N
Instrument Name LRMS
Ionization Type EI
Literature Reference DOI 10.1002/anie.201511624
Molecular Weight 397.518 g/mol
Reported Formula C27H27NO2
SMILES C(CC(C(OC=1C=CC=CC1)=O)C)(C=1C2=C(N(C1)C)C=CC=C2)(C=1C=CC=CC1)C
SPLASH splash10-001i-0092000000-c220501abc5dd00d2858
Sample Comments dr = 1:1
Source of Spectrum ACI-55-SM20-15 (DOI: 10.1002/anie.201511624)
Wiley ID 1895426