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1,5-Di(1H-indol-3-yl)pentan-3-one
SpectraBase Compound ID 3M6FlzZFAJA
InChI InChI=1S/C21H20N2O/c24-17(11-9-15-13-22-20-7-3-1-5-18(15)20)12-10-16-14-23-21-8-4-2-6-19(16)21/h1-8,13-14,22-23H,9-12H2
InChIKey XRCNSLTXOMAUDF-UHFFFAOYSA-N
Mol Weight 316.4 g/mol
Molecular Formula C21H20N2O
Exact Mass 316.157563 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gc7s4xo4IcB
Name 1,5-Di(1H-indol-3-yl)pentan-3-one
Appearance Yellow oil or foam
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 316.157563271 u
Formula C21H20N2O
InChI InChI=1S/C21H20N2O/c24-17(11-9-15-13-22-20-7-3-1-5-18(15)20)12-10-16-14-23-21-8-4-2-6-19(16)21/h1-8,13-14,22-23H,9-12H2
InChIKey XRCNSLTXOMAUDF-UHFFFAOYSA-N
Instrument Name Finnigan Mat 95
Ionization Type EI
Literature Reference DOI 10.1002/anie.201801846
Molecular Weight 316.404 g/mol
Quality 92
Reported Formula C21H20N2O
SMILES N1C=C(CCC(CCC=2C3=C(C=CC=C3)NC2)=O)C2=C1C=CC=C2
SPLASH splash10-001i-9401000000-550a7179bbe4cac00d30
Source of Spectrum ACI-57-SM7-6 (DOI: 10.1002/anie.201801846)
Wiley ID 1890931