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(5S,7aS)-1-Benzyl-7-chloro-7-cyano-5-methoxycarbonylhexahydropyrrolo[1,2-a]imidazole
SpectraBase Compound ID 1OQA0hYHE0E
InChI InChI=1S/C16H18ClN3O2/c1-22-14(21)13-9-16(17,11-18)15-19(7-8-20(13)15)10-12-5-3-2-4-6-12/h2-6,13,15H,7-10H2,1H3/t13-,15-,16?/m0/s1
InChIKey KKHITWAKYYRIEW-JFXOEICMSA-N
Mol Weight 319.79 g/mol
Molecular Formula C16H18ClN3O2
Exact Mass 319.108755 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LYohNtRi2nd
Name (5S,7aS)-1-Benzyl-7-chloro-7-cyano-5-methoxycarbonylhexahydropyrrolo[1,2-a]imidazole
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Formula C16H18ClN3O2
InChI InChI=1S/C16H18ClN3O2/c1-22-14(21)13-9-16(17,11-18)15-19(7-8-20(13)15)10-12-5-3-2-4-6-12/h2-6,13,15H,7-10H2,1H3/t13-,15-,16?/m0/s1
InChIKey KKHITWAKYYRIEW-JFXOEICMSA-N
Molecular Weight 319.792 g/mol
SMILES [C@]12(N([C@@](CC2(C#N)Cl)(C(=O)OC)[H])CCN1Cc1ccccc1)[H]
SPLASH splash10-001l-7290000000-d2c2df0af1d1c42136ad
Source of Spectrum KC-1-2068-19
Synonyms 1-Benzyl-7-chloro-7-cyano-5-methoxycarbonylhexahydropyrrolo[1,2-a]imidazole Methyl (5S,7aS)-1-benzyl-7-chloro-7-cyanohexahydro-1H-pyrrolo[1,2-a]imidazole-5-carboxylate
Wiley ID 825810