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2-(3,4-dihydro-2(1H)-isoquinolinylcarbonyl)-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridin-3-amine

View entire compound with spectra: 1 NMR

2-(3,4-dihydro-2(1H)-isoquinolinylcarbonyl)-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridin-3-amine
SpectraBase Compound ID EHjJX58ZcLe
InChI InChI=1S/C23H22F3N3OS/c24-23(25,26)18-15-8-2-1-3-9-16(15)28-21-17(18)19(27)20(31-21)22(30)29-11-10-13-6-4-5-7-14(13)12-29/h4-7H,1-3,8-12,27H2
InChIKey HDDQWELEEGSKNN-UHFFFAOYSA-N
Mol Weight 445.5 g/mol
Molecular Formula C23H22F3N3OS
Exact Mass 445.143568 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3rOhbDObkgi
Name 2-(3,4-dihydro-2(1H)-isoquinolinylcarbonyl)-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridin-3-amine
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/C23H22F3N3OS/c24-23(25,26)18-15-8-2-1-3-9-16(15)28-21-17(18)19(27)20(31-21)22(30)29-11-10-13-6-4-5-7-14(13)12-29/h4-7H,1-3,8-12,27H2
InChIKey HDDQWELEEGSKNN-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25676
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: D60548; Labnumber: SHES3-0349; SBI_ID: SBI-025680
Synonyms 2-(3,4-dihydro-2(1H)-isoquinolinylcarbonyl)-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridin-3-ylamine
Temperature 308 °C