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benzo[b]thiophene-3-carboxylic acid, 2-[[(2,4-dibromophenoxy)acetyl]amino]-4,5,6,7-tetrahydro-, methyl ester
SpectraBase Compound ID DptfEie0nA2
InChI InChI=1S/C18H17Br2NO4S/c1-24-18(23)16-11-4-2-3-5-14(11)26-17(16)21-15(22)9-25-13-7-6-10(19)8-12(13)20/h6-8H,2-5,9H2,1H3,(H,21,22)
InChIKey JTNIMWCLSBOEHE-UHFFFAOYSA-N
Mol Weight 503.21 g/mol
Molecular Formula C18H17Br2NO4S
Exact Mass 500.924505 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Gkt0pj8Aa9A
Name benzo[b]thiophene-3-carboxylic acid, 2-[[(2,4-dibromophenoxy)acetyl]amino]-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 500.924505201 u
Formula C18H17Br2NO4S
InChI InChI=1S/C18H17Br2NO4S/c1-24-18(23)16-11-4-2-3-5-14(11)26-17(16)21-15(22)9-25-13-7-6-10(19)8-12(13)20/h6-8H,2-5,9H2,1H3,(H,21,22)
InChIKey JTNIMWCLSBOEHE-UHFFFAOYSA-N
Molecular Weight 503.205 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_3357
Solvent DMSO-d6
Source Vendor ID: NMR/9278530; Lab Number: BAS 0908335
Temperature 29.85 °C