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benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]acetyl]amino]-, 1-methylethyl ester

View entire compound with spectra: 1 NMR

benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]acetyl]amino]-, 1-methylethyl ester
SpectraBase Compound ID CHHtSrzClyv
InChI InChI=1S/C17H21N3O3S3/c1-9(2)23-16(22)14-11-6-4-5-7-12(11)26-15(14)18-13(21)8-24-17-20-19-10(3)25-17/h9H,4-8H2,1-3H3,(H,18,21)
InChIKey GOCGIBIELVGOCS-UHFFFAOYSA-N
Mol Weight 411.55 g/mol
Molecular Formula C17H21N3O3S3
Exact Mass 411.074505 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JOrb3AbbBnl
Name benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]acetyl]amino]-, 1-methylethyl 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 411.074505067 u
Formula C17H21N3O3S3
InChI InChI=1S/C17H21N3O3S3/c1-9(2)23-16(22)14-11-6-4-5-7-12(11)26-15(14)18-13(21)8-24-17-20-19-10(3)25-17/h9H,4-8H2,1-3H3,(H,18,21)
InChIKey GOCGIBIELVGOCS-UHFFFAOYSA-N
Molecular Weight 411.553 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_4999
Solvent DMSO-d6
Source Vendor ID: NMR/9263358; Lab Info: PNA; Lab Number: PNA-NA00526