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4-Chloro-2-benzyl-2,5-diazabicyclo[2.2.2[octane-3,6-dione

View entire compound with spectra: 1 MS (GC)

4-Chloro-2-benzyl-2,5-diazabicyclo[2.2.2[octane-3,6-dione
SpectraBase Compound ID GbHhaBH6fJh
InChI InChI=1S/C13H13ClN2O2/c14-13-7-6-10(11(17)15-13)16(12(13)18)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,15,17)/t10-,13-/m0/s1
InChIKey JWKBYJOWXGNHJI-GWCFXTLKSA-N
Mol Weight 264.71 g/mol
Molecular Formula C13H13ClN2O2
Exact Mass 264.066555 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KnIkoFTkD4A
Name 4-Chloro-2-benzyl-2,5-diazabicyclo[2.2.2[octane-3,6-dione
Alternate Name(s) 5-Benzyl-1-chloro-2,5-diazabicyclo[2.2.2]octane-3,6-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13ClN2O2
InChI InChI=1S/C13H13ClN2O2/c14-13-7-6-10(11(17)15-13)16(12(13)18)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,15,17)/t10-,13-/m0/s1
InChIKey JWKBYJOWXGNHJI-GWCFXTLKSA-N
Molecular Weight 264.712 g/mol
SMILES N1[C@@]2(C(N([C@](C1=O)(CC2)[H])Cc1ccccc1)=O)Cl
SPLASH splash10-0006-9230000000-0b1c8a51405c23a01748
Source of Spectrum F-47-9265-3
Wiley ID 1267647