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methyl 2-methyl-4-(1-methyl-1H-indol-3-yl)-4-p-tolylbutanoate
SpectraBase Compound ID I4Hs2zRERHw
InChI InChI=1S/C22H25NO2/c1-15-9-11-17(12-10-15)19(13-16(2)22(24)25-4)20-14-23(3)21-8-6-5-7-18(20)21/h5-12,14,16,19H,13H2,1-4H3
InChIKey XLTCZJTYGTUNIP-UHFFFAOYSA-N
Mol Weight 335.45 g/mol
Molecular Formula C22H25NO2
Exact Mass 335.188529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GH9NtX3HyuO
Name methyl 2-methyl-4-(1-methyl-1H-indol-3-yl)-4-p-tolylbutanoate
Appearance Light yellow oil
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Formula C22H25NO2
InChI InChI=1S/C22H25NO2/c1-15-9-11-17(12-10-15)19(13-16(2)22(24)25-4)20-14-23(3)21-8-6-5-7-18(20)21/h5-12,14,16,19H,13H2,1-4H3
InChIKey XLTCZJTYGTUNIP-UHFFFAOYSA-N
Instrument Name LRMS
Ionization Type EI
Literature Reference DOI 10.1002/anie.201511624
Molecular Weight 335.447 g/mol
Reported Formula C22H25NO2
SMILES C(CC(C(=O)OC)C)(C1=CC=C(C=C1)C)C1=CN(C2=C1C=CC=C2)C
SPLASH splash10-001i-0092000000-f0b38c491becd7db8f53
Sample Comments dr = 1.6:1
Source of Spectrum ACI-55-SM13-4 (DOI: 10.1002/anie.201511624)
Wiley ID 1895452