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3-methylindol-1-carboxylic acid, tert-butyl ester
SpectraBase Compound ID 3ys3cemgx8W
InChI InChI=1S/C14H17NO2/c1-10-9-15(13(16)17-14(2,3)4)12-8-6-5-7-11(10)12/h5-9H,1-4H3
InChIKey SMURSSZMVCOKOO-UHFFFAOYSA-N
Mol Weight 231.29 g/mol
Molecular Formula C14H17NO2
Exact Mass 231.125929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID n2MCzjKeDs
Name tert-Butyl 3-methyl-1H-indole-1-carboxylate
Appearance Colourless oil
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17NO2
GC Oven Program Oven temp 320 oC, Splitless injector
InChI InChI=1S/C14H17NO2/c1-10-9-15(13(16)17-14(2,3)4)12-8-6-5-7-11(10)12/h5-9H,1-4H3
InChIKey SMURSSZMVCOKOO-UHFFFAOYSA-N
Instrument Name Agilent Technologies 7890A-5975C
Ionization Type EI
Literature Reference DOI 10.1002/anie.201905814
Molecular Weight 231.295 g/mol
SMILES C(OC(C)(C)C)(=O)[n]1cc(c2c1cccc2)C
SPLASH splash10-057i-3900000000-0e45e7e3f23d6195735e
Source of Spectrum ACI-58-SM18-25b
Wiley ID 1875428