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4-Methoxy-2-(octan-2-yl)-1-(pyridin-2-yl)-1H-indole
SpectraBase Compound ID EydmqefrSQs
InChI InChI=1S/C22H28N2O/c1-4-5-6-7-11-17(2)20-16-18-19(12-10-13-21(18)25-3)24(20)22-14-8-9-15-23-22/h8-10,12-17H,4-7,11H2,1-3H3
InChIKey YBSMPKQSUJWQPP-UHFFFAOYSA-N
Mol Weight 336.48 g/mol
Molecular Formula C22H28N2O
Exact Mass 336.220164 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Io0VDMU6yQw
Name 4-Methoxy-2-(octan-2-yl)-1-(pyridin-2-yl)-1H-indole
Appearance Yellowish oil
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Exact Mass 336.220163529 u
Formula C22H28N2O
InChI InChI=1S/C22H28N2O/c1-4-5-6-7-11-17(2)20-16-18-19(12-10-13-21(18)25-3)24(20)22-14-8-9-15-23-22/h8-10,12-17H,4-7,11H2,1-3H3
InChIKey YBSMPKQSUJWQPP-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/anie.201704196
Molecular Weight 336.479 g/mol
Reported Formula C22H28N2O
SMILES COC=1C2=C(C=CC1)N(C(=C2)C(C)CCCCCC)C1=NC=CC=C1
SPLASH splash10-0f79-0093000000-144d414ad5f3f0f1c328
Source of Spectrum ACI-56-SM26-4ia (DOI: 10.1002/anie.201704196)
Wiley ID 1896277