Debug Info

object
{15}
_id
:
tm4EC3q7uT
spectrumID
:
tm4EC3q7uT
cost
:
1
specType
:
8388608
xnmrNucleus
:
0
dbLocation
:
NY2X:29744:1
hasStructureAssignments
:
true
properties
{13}
analyticalTechnique
:
1H NMR
analyticalTechniqueLongName
:
1H Nuclear Magnetic Resonance (NMR) Spectrum
isFullSpectrum
:
true
spectralOutlier
:
false
compound
{10}
lastUpdated
:
1735074081058
isDeprecated
:
false

Logged In :

Authorized Features

  • None
  • DataFullSpectraPoints
  • DataReadAll
  • DataReportGeneration
  • ExportCompound
  • ExportStructure
  • ExportSpectrum
  • ImageFullMS
  • ImageHighRes
  • ImageFullAxis
  • SearchSpectral
  • SearchStructure
ADVERTISEMENT
4H-cyclopenta[b]thiophene-3-carboxylic acid, 2-[[2-[[4-(4-ethoxyphenyl)-5-[[(2-fluorobenzoyl)amino]methyl]-4H-1,2,4-triazol-3-yl]thio]-1-oxopropyl]amino]-5,6-dihydro-, ethyl ester
SpectraBase Compound ID KSbJ8aCgINj
InChI InChI=1S/C31H32FN5O5S2/c1-4-41-20-15-13-19(14-16-20)37-25(17-33-28(39)21-9-6-7-11-23(21)32)35-36-31(37)43-18(3)27(38)34-29-26(30(40)42-5-2)22-10-8-12-24(22)44-29/h6-7,9,11,13-16,18H,4-5,8,10,12,17H2,1-3H3,(H,33,39)(H,34,38)
InChIKey AXMUTLUKOFLRLF-UHFFFAOYSA-N
Mol Weight 637.7 g/mol
Molecular Formula C31H32FN5O5S2
Exact Mass 637.18289 g/mol
ADVERTISEMENT

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 tm4EC3q7uT
Name 4H-cyclopenta[b]thiophene-3-carboxylic acid, 2-[[2-[[4-(4-ethoxyphenyl)-5-[[(2-fluorobenzoyl)amino]methyl]-4H-1,2,4-triazol-3-yl]thio]-1-oxopropyl]amino]-5,6-dihydro-, ethyl ester
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C31H32FN5O5S2/c1-4-41-20-15-13-19(14-16-20)37-25(17-33-28(39)21-9-6-7-11-23(21)32)35-36-31(37)43-18(3)27(38)34-29-26(30(40)42-5-2)22-10-8-12-24(22)44-29/h6-7,9,11,13-16,18H,4-5,8,10,12,17H2,1-3H3,(H,33,39)(H,34,38)
InChIKey AXMUTLUKOFLRLF-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_6703
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: NMR/10278715
ADVERTISEMENT