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3-benzyl-8-thia-3-azabicyclo[3.2.1]octane-2,4-dione

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3-benzyl-8-thia-3-azabicyclo[3.2.1]octane-2,4-dione
SpectraBase Compound ID HIAnXXqTAoy
InChI InChI=1S/C13H13NO2S/c15-12-10-6-7-11(17-10)13(16)14(12)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2
InChIKey CHFVTXYQKRPJRX-UHFFFAOYSA-N
Mol Weight 247.31 g/mol
Molecular Formula C13H13NO2S
Exact Mass 247.0667 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2d7s1RbLZrk
Name 3-BENZYL-8-THIA-3-AZABICYCLO[3.2.1]OCTANE-2,4-DIONE
Source of Sample R. N. Prasad, Abbott Laboratories, Ltd., Montreal, Canada
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13NO2S
InChI InChI=1S/C13H13NO2S/c15-12-10-6-7-11(17-10)13(16)14(12)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2
InChIKey CHFVTXYQKRPJRX-UHFFFAOYSA-N
Melting Point 108.3-109.3C
Molecular Weight 247.32
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms 8-THIA-3-AZABICYCLO/3.2.1/OCTANE-2,4- DIONE, 3-BENZYL-,