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1-Benzyl-7-chloro-7-cyano-5-ethoxycarbonylhexahydro-1H-pyrrolo[1,2-a]imidazole
SpectraBase Compound ID 3mGuiSVtDaw
InChI InChI=1S/C17H20ClN3O2/c1-2-23-15(22)14-10-17(18,12-19)16-20(8-9-21(14)16)11-13-6-4-3-5-7-13/h3-7,14,16H,2,8-11H2,1H3
InChIKey JENTTXXAMYJSMY-UHFFFAOYSA-N
Mol Weight 333.82 g/mol
Molecular Formula C17H20ClN3O2
Exact Mass 333.124405 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DRNi7UkYA9K
Name 1-Benzyl-7-chloro-7-cyano-5-ethoxycarbonylhexahydro-1H-pyrrolo[1,2-a]imidazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20ClN3O2
InChI InChI=1S/C17H20ClN3O2/c1-2-23-15(22)14-10-17(18,12-19)16-20(8-9-21(14)16)11-13-6-4-3-5-7-13/h3-7,14,16H,2,8-11H2,1H3
InChIKey JENTTXXAMYJSMY-UHFFFAOYSA-N
Molecular Weight 333.819 g/mol
SMILES C12N(C(CC2(C#N)Cl)C(=O)OCC)CCN1Cc1ccccc1
SPLASH splash10-052g-9750000000-2f697e7c54c2da2b148e
Source of Spectrum KC-1-2068-19
Synonyms Ethyl 1-benzyl-7-chloro-7-cyanohexahydro-1H-pyrrolo[1,2-a]imidazole-5-carboxylate
Wiley ID 825809