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acetic acid, [[6-[(chloroacetyl)amino]-2-benzothiazolyl]thio]-, ethylester
SpectraBase Compound ID 5oBr0EC1MLy
InChI InChI=1S/C13H13ClN2O3S2/c1-2-19-12(18)7-20-13-16-9-4-3-8(5-10(9)21-13)15-11(17)6-14/h3-5H,2,6-7H2,1H3,(H,15,17)
InChIKey HFRGZYWIGBIFGA-UHFFFAOYSA-N
Mol Weight 344.83 g/mol
Molecular Formula C13H13ClN2O3S2
Exact Mass 344.005612 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4eRAlrDWM9
Name acetic acid, [[6-[(chloroacetyl)amino]-2-benzothiazolyl]thio]-, ethylester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 344.005612332 u
Formula C13H13ClN2O3S2
InChI InChI=1S/C13H13ClN2O3S2/c1-2-19-12(18)7-20-13-16-9-4-3-8(5-10(9)21-13)15-11(17)6-14/h3-5H,2,6-7H2,1H3,(H,15,17)
InChIKey HFRGZYWIGBIFGA-UHFFFAOYSA-N
Molecular Weight 344.831 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_6998
Solvent DMSO-d6
Source Vendor ID: NMR/10220528; Lab Info: LP; Lab Number: LP-0621009
Temperature 23.85 °C