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

*Links on SpectraBase are not permalinks.
ethyl 2-({[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID 7zv41BPbb7r
InChI InChI=1S/C19H22F3N3O3S/c1-3-28-18(27)16-12-7-5-4-6-8-13(12)29-17(16)23-15(26)10-25-11(2)9-14(24-25)19(20,21)22/h9H,3-8,10H2,1-2H3,(H,23,26)
InChIKey ZOWXXPQURYLOHX-UHFFFAOYSA-N
Mol Weight 429.46 g/mol
Molecular Formula C19H22F3N3O3S
Exact Mass 429.133397 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID LAQKBgjYAgQ
Name ethyl 2-({[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
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/C19H22F3N3O3S/c1-3-28-18(27)16-12-7-5-4-6-8-13(12)29-17(16)23-15(26)10-25-11(2)9-14(24-25)19(20,21)22/h9H,3-8,10H2,1-2H3,(H,23,26)
InChIKey ZOWXXPQURYLOHX-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_8729
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: 8050195; UBI_ID: UBI-008732
Temperature 318 °C