For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
8-Benzyl-6-chloro-6-cyano-4-methylene-2-oxo-3,8-diazabicyclo[3.2.1]octane
SpectraBase Compound ID 3PDRcnnpC38
InChI InChI=1S/C15H14ClN3O/c1-10-13-15(16,9-17)7-12(14(20)18-10)19(13)8-11-5-3-2-4-6-11/h2-6,12-13H,1,7-8H2,(H,18,20)/t12-,13-,15+/m0/s1
InChIKey QPDJJGNSWJAZAP-KCQAQPDRSA-N
Mol Weight 287.75 g/mol
Molecular Formula C15H14ClN3O
Exact Mass 287.08254 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3PWteQLOcc0
Name 8-Benzyl-6-chloro-6-cyano-4-methylene-2-oxo-3,8-diazabicyclo[3.2.1]octane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H14ClN3O
InChI InChI=1S/C15H14ClN3O/c1-10-13-15(16,9-17)7-12(14(20)18-10)19(13)8-11-5-3-2-4-6-11/h2-6,12-13H,1,7-8H2,(H,18,20)/t12-,13-,15+/m0/s1
InChIKey QPDJJGNSWJAZAP-KCQAQPDRSA-N
Molecular Weight 287.750 g/mol
SMILES N1C([C@@]2(N([C@](C1=O)(C[C@]2(C#N)Cl)[H])Cc1ccccc1)[H])=C
SPLASH splash10-0006-9050000000-3b3756320ea968847b3f
Source of Spectrum H1-40-341-3
Synonyms (1S,5S,6S)-8-Benzyl-6-chloro-4-methylene-2-oxo-3,8-diaza-bicyclo[3.2.1]octane-6-carbonitrile 8-Benzyl-6-chloro-4-methylene-2-oxo-3,8-diazabicyclo[3.2.1]octane-6-carbonitrile
Wiley ID 756923