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(4aS,9bR)-2,8-dimethyl-N-[3-(trifluoromethyl)phenyl]-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indole-5-carboxamide
SpectraBase Compound ID 48XupjWAGSL
InChI InChI=1S/C21H22F3N3O/c1-13-6-7-18-16(10-13)17-12-26(2)9-8-19(17)27(18)20(28)25-15-5-3-4-14(11-15)21(22,23)24/h3-7,10-11,17,19H,8-9,12H2,1-2H3,(H,25,28)
InChIKey AUTUDPBMJAOGQU-UHFFFAOYSA-N
Mol Weight 389.42 g/mol
Molecular Formula C21H22F3N3O
Exact Mass 389.171497 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LIK2RVF2bKl
Name (4aS,9bR)-2,8-dimethyl-N-[3-(trifluoromethyl)phenyl]-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indole-5-carboxamide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C21H22F3N3O/c1-13-6-7-18-16(10-13)17-12-26(2)9-8-19(17)27(18)20(28)25-15-5-3-4-14(11-15)21(22,23)24/h3-7,10-11,17,19H,8-9,12H2,1-2H3,(H,25,28)
InChIKey AUTUDPBMJAOGQU-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_2404
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D02852; Labnumber: ACAR-208-1; SBI_ID: SBI-002406
Temperature 303 °C