For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3H-Indol-7-ol, 6-(1,1-dimethylethyl)-3,3-dimethyl-, benzoate (ester)
SpectraBase Compound ID CzSFIaTGPJ
InChI InChI=1S/C21H23NO2/c1-20(2,3)16-12-11-15-17(22-13-21(15,4)5)18(16)24-19(23)14-9-7-6-8-10-14/h6-13H,1-5H3
InChIKey MPUJSBCXIZQPLF-UHFFFAOYSA-N
Mol Weight 321.42 g/mol
Molecular Formula C21H23NO2
Exact Mass 321.172879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 6d4ipt5SqZ7
Name 3H-Indol-7-ol, 6-(1,1-dimethylethyl)-3,3-dimethyl-, benzoate (ester)
CAS Registry Number 68904-00-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23NO2
InChI InChI=1S/C21H23NO2/c1-20(2,3)16-12-11-15-17(22-13-21(15,4)5)18(16)24-19(23)14-9-7-6-8-10-14/h6-13H,1-5H3
InChIKey MPUJSBCXIZQPLF-UHFFFAOYSA-N
Molecular Weight 321.420 g/mol
SMILES c1(c2N=CC(c2ccc1C(C)(C)C)(C)C)OC(=O)c1ccccc1
SPLASH splash10-0a4i-2901000000-1af7b7fb178bf9fdc9cd
Source of Spectrum K-111-3814-0
Synonyms 6-tert-Butyl-3,3-dimethyl-3H-indol-7-yl benzoate 7-Benzoyloxy-6-tert-butyl-3,3-dimethyl-3H-indole
Wiley ID 1321094