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4-METHYL-7-METHOXY-2,3,4,5-TETRAHYDRO-1,4-BENZOTHIAZEPINE;S-107
SpectraBase Compound ID 75LI5GsAtsf
InChI InChI=1S/C11H15NOS/c1-12-5-6-14-11-4-3-10(13-2)7-9(11)8-12/h3-4,7H,5-6,8H2,1-2H3
InChIKey BGVCEGVSQDOGSB-UHFFFAOYSA-N
Mol Weight 209.31 g/mol
Molecular Formula C11H15NOS
Exact Mass 209.087435 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JodDPTpmUxy
Name 4-METHYL-7-METHOXY-2,3,4,5-TETRAHYDRO-1,4-BENZOTHIAZEPINE;S-107
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H15NOS
InChI InChI=1S/C11H15NOS/c1-12-5-6-14-11-4-3-10(13-2)7-9(11)8-12/h3-4,7H,5-6,8H2,1-2H3
InChIKey BGVCEGVSQDOGSB-UHFFFAOYSA-N
Literature Reference Author M.THEVIS,S.BEUCK,A.THOMAS,M.KOHLER,N.SCHLOERER,I.VAJIALA,W.S CHAENZER
Literature Reference Citation DRUG.TEST.ANAL.,1,32(2009)
Literature Reference DOI 10.1002/dta.13
Molecular Weight 209.306 g/mol
Sample ID 72202
Solvent CD3OD