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

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2-[[2-[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester
SpectraBase Compound ID 3OVMb1YXKfW
InChI InChI=1S/C17H19N3O4S2/c1-3-24-16(23)14-10-5-4-6-11(10)26-15(14)19-13(22)8-25-17-18-9(2)7-12(21)20-17/h7H,3-6,8H2,1-2H3,(H,19,22)(H,18,20,21)
InChIKey YJYUZSPMTHNNSM-UHFFFAOYSA-N
Mol Weight 393.48 g/mol
Molecular Formula C17H19N3O4S2
Exact Mass 393.081698 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LNN57dDJNTQ
Name 4H-cyclopenta[b]thiophene-3-carboxylic acid, 2-[[[(1,6-dihydro-4-methyl-6-oxo-2-pyrimidinyl)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 393.081698448 u
Formula C17H19N3O4S2
InChI InChI=1S/C17H19N3O4S2/c1-3-24-16(23)14-10-5-4-6-11(10)26-15(14)19-13(22)8-25-17-18-9(2)7-12(21)20-17/h7H,3-6,8H2,1-2H3,(H,19,22)(H,18,20,21)
InChIKey YJYUZSPMTHNNSM-UHFFFAOYSA-N
Molecular Weight 393.476 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_18348
Solvent DMSO-d6
Source Vendor ID: NMR/11211082; Lab Info: DEM; Lab Number: 0443