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

*Links on SpectraBase are not permalinks.
ethyl 3-{[(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amino]carbonyl}-1-methyl-1H-pyrazole-5-carboxylate
SpectraBase Compound ID LHgBSndRBTl
InChI InChI=1S/C17H18N4O3S/c1-3-24-17(23)13-8-12(20-21(13)2)15(22)19-16-11(9-18)10-6-4-5-7-14(10)25-16/h8H,3-7H2,1-2H3,(H,19,22)
InChIKey WXOVBJDPOKOEOS-UHFFFAOYSA-N
Mol Weight 358.42 g/mol
Molecular Formula C17H18N4O3S
Exact Mass 358.109962 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 87O31z7r3MB
Name ethyl 3-{[(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amino]carbonyl}-1-methyl-1H-pyrazole-5-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/C17H18N4O3S/c1-3-24-17(23)13-8-12(20-21(13)2)15(22)19-16-11(9-18)10-6-4-5-7-14(10)25-16/h8H,3-7H2,1-2H3,(H,19,22)
InChIKey WXOVBJDPOKOEOS-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_14885
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: UZI/1020830; UBI_ID: UBI-014888
Temperature 308 °C