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phenol, 2,6-dibromo-4-(4-morpholinylcarbonothioyl)-, 4-methylbenzenesulfonate (ester)

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phenol, 2,6-dibromo-4-(4-morpholinylcarbonothioyl)-, 4-methylbenzenesulfonate (ester)
SpectraBase Compound ID jpN0zipMUb
InChI InChI=1S/C18H17Br2NO4S2/c1-12-2-4-14(5-3-12)27(22,23)25-17-15(19)10-13(11-16(17)20)18(26)21-6-8-24-9-7-21/h2-5,10-11H,6-9H2,1H3
InChIKey GRIJGGUYDSYORJ-UHFFFAOYSA-N
Mol Weight 535.27 g/mol
Molecular Formula C18H17Br2NO4S2
Exact Mass 532.896576 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CV62wyYQbVF
Name phenol, 2,6-dibromo-4-(4-morpholinylcarbonothioyl)-, 4-methylbenzenesulfonate (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 532.896576375 u
Formula C18H17Br2NO4S2
InChI InChI=1S/C18H17Br2NO4S2/c1-12-2-4-14(5-3-12)27(22,23)25-17-15(19)10-13(11-16(17)20)18(26)21-6-8-24-9-7-21/h2-5,10-11H,6-9H2,1H3
InChIKey GRIJGGUYDSYORJ-UHFFFAOYSA-N
Molecular Weight 535.265 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_3067
Solvent DMSO-d6
Source Vendor ID: NMR/9258438; Lab Info: *0647867*; Lab Number: BAS 0647867
Temperature 23.85 °C