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2,6,6-Trimethyl-1-pentyl-3-(2,2,2-trichloro-ethyl)-1,5,6,7-tetrahydro-indol-4-one

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2,6,6-Trimethyl-1-pentyl-3-(2,2,2-trichloro-ethyl)-1,5,6,7-tetrahydro-indol-4-one
SpectraBase Compound ID Efqx8MOWtS4
InChI InChI=1S/C18H26Cl3NO/c1-5-6-7-8-22-12(2)13(9-18(19,20)21)16-14(22)10-17(3,4)11-15(16)23/h5-11H2,1-4H3
InChIKey PSPFQTQYOUMMAT-UHFFFAOYSA-N
Mol Weight 378.77 g/mol
Molecular Formula C18H26Cl3NO
Exact Mass 377.107998 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8bM6MTfxwcy
Name 4H-indol-4-one, 1,5,6,7-tetrahydro-2,6,6-trimethyl-1-pentyl-3-(2,2,2-trichloroethyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 377.107997560 u
Formula C18H26Cl3NO
InChI InChI=1S/C18H26Cl3NO/c1-5-6-7-8-22-12(2)13(9-18(19,20)21)16-14(22)10-17(3,4)11-15(16)23/h5-11H2,1-4H3
InChIKey PSPFQTQYOUMMAT-UHFFFAOYSA-N
Molecular Weight 378.771 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_11846
Solvent DMSO-d6
Source Vendor ID: NMR/10261647; Lab Info: DUD; Lab Number: DUD-DKAD022