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indol-1-carboxylic acid, tert-butyl ester
SpectraBase Compound ID 2GUsCNoj504
InChI InChI=1S/C13H15NO2/c1-13(2,3)16-12(15)14-9-8-10-6-4-5-7-11(10)14/h4-9H,1-3H3
InChIKey OWPIFQXNMLDXKW-UHFFFAOYSA-N
Mol Weight 217.27 g/mol
Molecular Formula C13H15NO2
Exact Mass 217.110279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BnMpiyDiCUX
Name 1-Indolecarboxylic acid tert-butyl ester
CAS Registry Number 75400-67-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15NO2
InChI InChI=1S/C13H15NO2/c1-13(2,3)16-12(15)14-9-8-10-6-4-5-7-11(10)14/h4-9H,1-3H3
InChIKey OWPIFQXNMLDXKW-UHFFFAOYSA-N
Molecular Weight 217.268 g/mol
SMILES C([n]1ccc2c1cccc2)(OC(C)(C)C)=O
SPLASH splash10-014i-1490000000-e3881952e7a5f9894b0e
Source of Spectrum J-46-162-0
Synonyms Indole-1-carboxylic acid tert-butyl ester tert-Butyl 1H-indole-1-carboxylate tert-Butyl indole-1-carboxylate
Wiley ID 1216635