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1,2-Propadiol, 3-[(trifluoroacetylamino)-T-butylamino]-, 1-indol-4-yl ether
SpectraBase Compound ID M0X4beUtqg
InChI InChI=1S/C17H22F3N3O3/c1-16(2,10-22-15(25)17(18,19)20)23-8-11(24)9-26-14-5-3-4-13-12(14)6-7-21-13/h3-7,11,21,23-24H,8-10H2,1-2H3,(H,22,25)
InChIKey IVBJAHQVLOQVTJ-UHFFFAOYSA-N
Mol Weight 373.38 g/mol
Molecular Formula C17H22F3N3O3
Exact Mass 373.161326 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D9m7u73PZei
Name 1,2-Propadiol, 3-[(trifluoroacetylamino)-T-butylamino]-, 1-indol-4-yl ether
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 373.161326066 u
Formula C17H22F3N3O3
InChI InChI=1S/C17H22F3N3O3/c1-16(2,10-22-15(25)17(18,19)20)23-8-11(24)9-26-14-5-3-4-13-12(14)6-7-21-13/h3-7,11,21,23-24H,8-10H2,1-2H3,(H,22,25)
InChIKey IVBJAHQVLOQVTJ-UHFFFAOYSA-N
Molecular Weight 373.376 g/mol
SMILES C1=CC(=C2C(=C1)NC=C2)OCC(O)CNC(C)(C)CNC(=O)C(F)(F)F