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8,8-Dimethoxy-4,6-dimethyl-2-phenyl-5-thioxo-2,6-diazabicyclo-[2.2.2]octane-3-one
SpectraBase Compound ID KAgucBg6WCm
InChI InChI=1S/C16H20N2O3S/c1-15-13(19)18(11-8-6-5-7-9-11)12(17(2)14(15)22)10-16(15,20-3)21-4/h5-9,12H,10H2,1-4H3/t12-,15-/m1/s1
InChIKey TWRFYMLQMOHJQD-IUODEOHRSA-N
Mol Weight 320.41 g/mol
Molecular Formula C16H20N2O3S
Exact Mass 320.119464 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kq9lCQZzzaD
Name 8,8-Dimethoxy-4,6-dimethyl-2-phenyl-5-thioxo-2,6-diazabicyclo-[2.2.2]octane-3-one
CAS Registry Number 104910-70-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20N2O3S
InChI InChI=1S/C16H20N2O3S/c1-15-13(19)18(11-8-6-5-7-9-11)12(17(2)14(15)22)10-16(15,20-3)21-4/h5-9,12H,10H2,1-4H3/t12-,15-/m1/s1
InChIKey TWRFYMLQMOHJQD-IUODEOHRSA-N
Molecular Weight 320.407 g/mol
SMILES [C@@]12(C(N(C)[C@@](CC2(OC)OC)(N(C1=O)c1ccccc1)[H])=S)C
SPLASH splash10-0f89-1190000000-840ff3dcc88a9f21bf78
Source of Spectrum K-120-116-6
Synonyms 8,8-Dimethoxy-4,6-dimethyl-2-phenyl-5-thioxo-2,6-diazabicyclo[2.2.2]octan-3-one
Wiley ID 1319938