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7-CHLORO-2-ETHOXY-2,3-DIHYDRO-4-METHYL-2-1H-1,4,2-BENZODIAZAPHOSPHEPIN-5(4H)-THIONE-2-THIOXIDE;MAJOR-ROTAMER
SpectraBase Compound ID 3KOvOH1BTsJ
InChI InChI=1S/C11H14ClN2OPS2/c1-3-15-16(18)7-14(2)11(17)9-6-8(12)4-5-10(9)13-16/h4-6H,3,7H2,1-2H3,(H,13,18)
InChIKey JGOFIKWJZQOHHC-UHFFFAOYSA-N
Mol Weight 320.79 g/mol
Molecular Formula C11H14ClN2OPS2
Exact Mass 319.99737 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 30Bbifl7Yis
Name 7-CHLORO-2-ETHOXY-2,3-DIHYDRO-4-METHYL-2-1H-1,4,2-BENZODIAZAPHOSPHEPIN-5(4H)-THIONE-2-THIOXIDE;MAJOR-ROTAMER
Compound Number 1 0
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H14ClN2OPS2
InChI InChI=1S/C11H14ClN2OPS2/c1-3-15-16(18)7-14(2)11(17)9-6-8(12)4-5-10(9)13-16/h4-6H,3,7H2,1-2H3,(H,13,18)
InChIKey JGOFIKWJZQOHHC-UHFFFAOYSA-N
Literature Reference Author G.M.KARP
Literature Reference Citation J.ORG.CHEM.,64,8156(1999)
Literature Reference DOI 10.1021/jo9908400
Solvent DMSO-D6
Source File Reference UWSI40990