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benzo[b]thiophene-3-carboxylic acid, 2-[[(3-chlorobenzo[b]thien-2-yl)carbonyl]amino]-6-(1,1-dimethylethyl)-4,5,6,7-tetrahydro-, methyl ester

View entire compound with spectra: 2 NMR

benzo[b]thiophene-3-carboxylic acid, 2-[[(3-chlorobenzo[b]thien-2-yl)carbonyl]amino]-6-(1,1-dimethylethyl)-4,5,6,7-tetrahydro-, methyl ester
SpectraBase Compound ID IEybB9Jj8KF
InChI InChI=1S/C23H24ClNO3S2/c1-23(2,3)12-9-10-13-16(11-12)30-21(17(13)22(27)28-4)25-20(26)19-18(24)14-7-5-6-8-15(14)29-19/h5-8,12H,9-11H2,1-4H3,(H,25,26)
InChIKey KBZSVLSQXXVPCN-UHFFFAOYSA-N
Mol Weight 462.02 g/mol
Molecular Formula C23H24ClNO3S2
Exact Mass 461.088614 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6EIk5ALJhbc
Name benzo[b]thiophene-3-carboxylic acid, 2-[[(3-chlorobenzo[b]thien-2-yl)carbonyl]amino]-6-(1,1-dimethylethyl)-4,5,6,7-tetrahydro-, 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 461.088613682 u
Formula C23H24ClNO3S2
InChI InChI=1S/C23H24ClNO3S2/c1-23(2,3)12-9-10-13-16(11-12)30-21(17(13)22(27)28-4)25-20(26)19-18(24)14-7-5-6-8-15(14)29-19/h5-8,12H,9-11H2,1-4H3,(H,25,26)
InChIKey KBZSVLSQXXVPCN-UHFFFAOYSA-N
Molecular Weight 462.022 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_3819
Solvent DMSO-d6
Source Vendor ID: NMR/9263380; Lab Info: PNA; Lab Number: PNA-NA00548