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

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

4H-cyclopenta[b]thiophene-3-carboxylic acid, 2-[[[(4-amino-5-methyl-4H-1,2,4-triazol-3-yl)thio]acetyl]amino]-5,6-dihydro-, ethyl ester
SpectraBase Compound ID Am92NKyvgJ
InChI InChI=1S/C15H19N5O3S2/c1-3-23-14(22)12-9-5-4-6-10(9)25-13(12)17-11(21)7-24-15-19-18-8(2)20(15)16/h3-7,16H2,1-2H3,(H,17,21)
InChIKey QPBVRSXZQNXRHX-UHFFFAOYSA-N
Mol Weight 381.47 g/mol
Molecular Formula C15H19N5O3S2
Exact Mass 381.092932 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HTJhw70yIO0
Name 4H-cyclopenta[b]thiophene-3-carboxylic acid, 2-[[[(4-amino-5-methyl-4H-1,2,4-triazol-3-yl)thio]acetyl]amino]-5,6-dihydro-, ethyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 381.092931837 u
Formula C15H19N5O3S2
InChI InChI=1S/C15H19N5O3S2/c1-3-23-14(22)12-9-5-4-6-10(9)25-13(12)17-11(21)7-24-15-19-18-8(2)20(15)16/h3-7,16H2,1-2H3,(H,17,21)
InChIKey QPBVRSXZQNXRHX-UHFFFAOYSA-N
Molecular Weight 381.469 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_18341
Solvent DMSO-d6
Source Vendor ID: NMR/10321086; Lab Info: DEM; Lab Number: DEM-0000206