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2,3-DIHYDRO-1,4-BENZOTHIAZEPIN-5(4H)-ONE, 1,1-DIOXIDE

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2,3-DIHYDRO-1,4-BENZOTHIAZEPIN-5(4H)-ONE, 1,1-DIOXIDE
SpectraBase Compound ID EIDrxy0QNNn
InChI InChI=1S/C9H9NO3S/c11-9-7-3-1-2-4-8(7)14(12,13)6-5-10-9/h1-4H,5-6H2,(H,10,11)
InChIKey XYMMXEGENIJHHZ-UHFFFAOYSA-N
Mol Weight 211.23 g/mol
Molecular Formula C9H9NO3S
Exact Mass 211.030314 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3R9buvY1x1M
Name 2,3-DIHYDRO-1,4-BENZOTHIAZEPIN-5(4H)-ONE, 1,1-DIOXIDE
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9NO3S
InChI InChI=1S/C9H9NO3S/c11-9-7-3-1-2-4-8(7)14(12,13)6-5-10-9/h1-4H,5-6H2,(H,10,11)
InChIKey XYMMXEGENIJHHZ-UHFFFAOYSA-N
Molecular Weight 211.24
Solvent Dimethyl sulfoxide-d6; Reference=TMS Spectrometer= Bruker AC-300
Synonyms 1,4-BENZOTHIAZEPIN-5(4H)-ONE, 2,3-DIHYDRO-, 1,1-DIOXIDE