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methyl 6-methyl-2-{[(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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methyl 6-methyl-2-{[(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID P0rF8XTHxW
InChI InChI=1S/C21H22N2O4S2/c1-11-7-8-12-15(9-11)29-20(18(12)21(26)27-2)23-17(24)10-16-19(25)22-13-5-3-4-6-14(13)28-16/h3-6,11,16H,7-10H2,1-2H3,(H,22,25)(H,23,24)
InChIKey SBKQAXUBRATXQE-UHFFFAOYSA-N
Mol Weight 430.54 g/mol
Molecular Formula C21H22N2O4S2
Exact Mass 430.1021 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 31gtfHTNZUK
Name methyl 6-methyl-2-{[(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 430.102099540 u
Formula C21H22N2O4S2
InChI InChI=1S/C21H22N2O4S2/c1-11-7-8-12-15(9-11)29-20(18(12)21(26)27-2)23-17(24)10-16-19(25)22-13-5-3-4-6-14(13)28-16/h3-6,11,16H,7-10H2,1-2H3,(H,22,25)(H,23,24)
InChIKey SBKQAXUBRATXQE-UHFFFAOYSA-N
Molecular Weight 430.537 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_2576
Solvent DMSO-d6
Source Vendor ID: NMR/12279672