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benzo[b]thiophene-3-carboxylic acid, 6-ethyl-4,5,6,7-tetrahydro-2-[[(3-nitro-1H-pyrazol-1-yl)acetyl]amino]-, methyl ester

View entire compound with spectra: 1 NMR

benzo[b]thiophene-3-carboxylic acid, 6-ethyl-4,5,6,7-tetrahydro-2-[[(3-nitro-1H-pyrazol-1-yl)acetyl]amino]-, methyl ester
SpectraBase Compound ID BJKL5HnGOSC
InChI InChI=1S/C17H20N4O5S/c1-3-10-4-5-11-12(8-10)27-16(15(11)17(23)26-2)18-14(22)9-20-7-6-13(19-20)21(24)25/h6-7,10H,3-5,8-9H2,1-2H3,(H,18,22)
InChIKey SKZGKANLECYVPP-UHFFFAOYSA-N
Mol Weight 392.43 g/mol
Molecular Formula C17H20N4O5S
Exact Mass 392.115441 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 23Pxci2SkZV
Name benzo[b]thiophene-3-carboxylic acid, 6-ethyl-4,5,6,7-tetrahydro-2-[[(3-nitro-1H-pyrazol-1-yl)acetyl]amino]-, methyl 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 392.115440929 u
Formula C17H20N4O5S
InChI InChI=1S/C17H20N4O5S/c1-3-10-4-5-11-12(8-10)27-16(15(11)17(23)26-2)18-14(22)9-20-7-6-13(19-20)21(24)25/h6-7,10H,3-5,8-9H2,1-2H3,(H,18,22)
InChIKey SKZGKANLECYVPP-UHFFFAOYSA-N
Molecular Weight 392.430 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_5034
Solvent DMSO-d6
Source Vendor ID: NMR/9233863; Lab Info: PNA; Lab Number: PNA-NA00127