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benzo[b]thiophene-3-carboxylic acid, 2-[[(2Z)-2-cyano-1-oxo-3-(3-phenyl-1H-pyrazol-5-yl)-2-propenyl]amino]-4,5,6,7-tetrahydro-, ethyl ester

View entire compound with spectra: 1 NMR

benzo[b]thiophene-3-carboxylic acid, 2-[[(2Z)-2-cyano-1-oxo-3-(3-phenyl-1H-pyrazol-5-yl)-2-propenyl]amino]-4,5,6,7-tetrahydro-, ethyl ester
SpectraBase Compound ID 7B7jckZEAS0
InChI InChI=1S/C24H22N4O3S/c1-2-31-24(30)21-18-10-6-7-11-20(18)32-23(21)26-22(29)16(14-25)12-17-13-19(28-27-17)15-8-4-3-5-9-15/h3-5,8-9,12-13H,2,6-7,10-11H2,1H3,(H,26,29)(H,27,28)/b16-12-
InChIKey URUZDABCHSGDDN-VBKFSLOCSA-N
Mol Weight 446.53 g/mol
Molecular Formula C24H22N4O3S
Exact Mass 446.141262 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ev2biR0bTgr
Name benzo[b]thiophene-3-carboxylic acid, 2-[[(2Z)-2-cyano-1-oxo-3-(3-phenyl-1H-pyrazol-5-yl)-2-propenyl]amino]-4,5,6,7-tetrahydro-, 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 446.141261755 u
Formula C24H22N4O3S
InChI InChI=1S/C24H22N4O3S/c1-2-31-24(30)21-18-10-6-7-11-20(18)32-23(21)26-22(29)16(14-25)12-17-13-19(28-27-17)15-8-4-3-5-9-15/h3-5,8-9,12-13H,2,6-7,10-11H2,1H3,(H,26,29)(H,27,28)/b16-12-
InChIKey URUZDABCHSGDDN-VBKFSLOCSA-N
Molecular Weight 446.525 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_9205
Solvent DMSO-d6
Source Vendor ID: NMR/9245031; Lab Info: OBU; Lab Number: OBU-B000008