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4H-cyclopenta[b]thiophene-3-carboxylic acid, 2-[[[[4-amino-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-5,6-dihydro-, ethyl

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4H-cyclopenta[b]thiophene-3-carboxylic acid, 2-[[[[4-amino-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-5,6-dihydro-, ethyl
SpectraBase Compound ID BIls8l8kRkJ
InChI InChI=1S/C15H16F3N5O3S2/c1-2-26-12(25)10-7-4-3-5-8(7)28-11(10)20-9(24)6-27-14-22-21-13(23(14)19)15(16,17)18/h2-6,19H2,1H3,(H,20,24)
InChIKey LVXLHIZZMOLRGT-UHFFFAOYSA-N
Mol Weight 435.44 g/mol
Molecular Formula C15H16F3N5O3S2
Exact Mass 435.064666 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9brbcSojeFU
Name 4H-cyclopenta[b]thiophene-3-carboxylic acid, 2-[[[[4-amino-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-5,6-dihydro-, ethyl
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 435.064666229 u
Formula C15H16F3N5O3S2
InChI InChI=1S/C15H16F3N5O3S2/c1-2-26-12(25)10-7-4-3-5-8(7)28-11(10)20-9(24)6-27-14-22-21-13(23(14)19)15(16,17)18/h2-6,19H2,1H3,(H,20,24)
InChIKey LVXLHIZZMOLRGT-UHFFFAOYSA-N
Molecular Weight 435.440 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_18247
Solvent DMSO-d6
Source Vendor ID: NMR/10321087; Lab Info: DEM; Lab Number: DEM-0000207