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2H-naphtho[1,8-cd]isothiazole-2-acetamide, N-(3-bromo-4-methylphenyl)-, 1,1-dioxide
SpectraBase Compound ID 8cH5kwnl4ec
InChI InChI=1S/C19H15BrN2O3S/c1-12-8-9-14(10-15(12)20)21-18(23)11-22-16-6-2-4-13-5-3-7-17(19(13)16)26(22,24)25/h2-10H,11H2,1H3,(H,21,23)
InChIKey XDNNFUOMEHDOFV-UHFFFAOYSA-N
Mol Weight 431.3 g/mol
Molecular Formula C19H15BrN2O3S
Exact Mass 429.998677 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8ZdUVKsmrhP
Name 2H-naphtho[1,8-cd]isothiazole-2-acetamide, N-(3-bromo-4-methylphenyl)-, 1,1-dioxide
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 429.998676522 u
Formula C19H15BrN2O3S
InChI InChI=1S/C19H15BrN2O3S/c1-12-8-9-14(10-15(12)20)21-18(23)11-22-16-6-2-4-13-5-3-7-17(19(13)16)26(22,24)25/h2-10H,11H2,1H3,(H,21,23)
InChIKey XDNNFUOMEHDOFV-UHFFFAOYSA-N
Molecular Weight 431.304 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14764
Solvent DMSO-d6
Source Vendor ID: NMR/10320437; Lab Info: SAD; Lab Number: SAD-dast060