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Tert-Butyle 1-benzyl-5-methyl-1H-indole-2-carboxylate
SpectraBase Compound ID HmQPXlIDOlD
InChI InChI=1S/C21H23NO2/c1-15-10-11-18-17(12-15)13-19(20(23)24-21(2,3)4)22(18)14-16-8-6-5-7-9-16/h5-13H,14H2,1-4H3
InChIKey SHXWJKZTXPQIGX-UHFFFAOYSA-N
Mol Weight 321.42 g/mol
Molecular Formula C21H23NO2
Exact Mass 321.172879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HBhkGkKXm87
Name Tert-Butyle 1-benzyl-5-methyl-1H-indole-2-carboxylate
Alternate Name(s) tert-Butyl 1-benzyl-5-methyl-1H-indole-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23NO2
InChI InChI=1S/C21H23NO2/c1-15-10-11-18-17(12-15)13-19(20(23)24-21(2,3)4)22(18)14-16-8-6-5-7-9-16/h5-13H,14H2,1-4H3
InChIKey SHXWJKZTXPQIGX-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol401610e
Molecular Weight 321.420 g/mol
SMILES c1(ccc2[n](Cc3ccccc3)c(cc2c1)C(OC(C)(C)C)=O)C
SPLASH splash10-0a4i-9480000000-32c7d4d8de6747c8b033
Source of Spectrum A1-15-3876/SMS18-22c
Wiley ID 1748957