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benzo[b]thiophene-3-carboxylic acid, 2-[[[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]-4,5,6,7-tetrahydro-, ethyl ester

View entire compound with spectra: 1 NMR

benzo[b]thiophene-3-carboxylic acid, 2-[[[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]-4,5,6,7-tetrahydro-, ethyl ester
SpectraBase Compound ID 3GFhSx7StT9
InChI InChI=1S/C22H21ClN2O4S/c1-3-28-22(27)18-14-9-5-7-11-16(14)30-21(18)24-20(26)17-12(2)29-25-19(17)13-8-4-6-10-15(13)23/h4,6,8,10H,3,5,7,9,11H2,1-2H3,(H,24,26)
InChIKey OFNFQECALWDBEW-UHFFFAOYSA-N
Mol Weight 444.93 g/mol
Molecular Formula C22H21ClN2O4S
Exact Mass 444.091056 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HBUWFPOMP8o
Name benzo[b]thiophene-3-carboxylic acid, 2-[[[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl]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 444.091056034 u
Formula C22H21ClN2O4S
InChI InChI=1S/C22H21ClN2O4S/c1-3-28-22(27)18-14-9-5-7-11-16(14)30-21(18)24-20(26)17-12(2)29-25-19(17)13-8-4-6-10-15(13)23/h4,6,8,10H,3,5,7,9,11H2,1-2H3,(H,24,26)
InChIKey OFNFQECALWDBEW-UHFFFAOYSA-N
Molecular Weight 444.933 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_3346
Solvent DMSO-d6
Source Vendor ID: NMR/9278511; Lab Number: BAS 0843124
Temperature 29.85 °C