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3-(p-Chlorobenzyl)-8-thia-3-azabicyclo[3.2.1]octane-2,4-dione

View entire compound with spectra: 2 NMR, and 1 FTIR

3-(p-Chlorobenzyl)-8-thia-3-azabicyclo[3.2.1]octane-2,4-dione
SpectraBase Compound ID 2R7A2JA3W1K
InChI InChI=1S/C13H12ClNO2S/c14-9-3-1-8(2-4-9)7-15-12(16)10-5-6-11(18-10)13(15)17/h1-4,10-11H,5-7H2
InChIKey ZNEHJVMSJAUEBA-UHFFFAOYSA-N
Mol Weight 281.76 g/mol
Molecular Formula C13H12ClNO2S
Exact Mass 281.027728 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fo9y8w0tKsi
Name 3-(p-Chlorobenzyl)-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 C13H12ClNO2S
InChI InChI=1S/C13H12ClNO2S/c14-9-3-1-8(2-4-9)7-15-12(16)10-5-6-11(18-10)13(15)17/h1-4,10-11H,5-7H2
InChIKey ZNEHJVMSJAUEBA-UHFFFAOYSA-N
Melting Point 90-90.5C
Molecular Weight 281.76
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms 8-THIA-3-AZABICYCLO/3.2.1/OCTANE-2,4- DIONE, 3-/P-CHLOROBENZYL/-,