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1-Benzyl-7-cyano-5-methoxycarbonyl-7-methylhexahydro-1H-pyrrolo[1,2-a]imidazole
SpectraBase Compound ID IlELopZIs6z
InChI InChI=1S/C17H21N3O2/c1-17(12-18)10-14(15(21)22-2)20-9-8-19(16(17)20)11-13-6-4-3-5-7-13/h3-7,14,16H,8-11H2,1-2H3/t14-,16+,17+/m1/s1
InChIKey PCDZCZROCACXEL-PVAVHDDUSA-N
Mol Weight 299.37 g/mol
Molecular Formula C17H21N3O2
Exact Mass 299.163377 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8xQy8ln1pOA
Name 1-Benzyl-7-cyano-5-methoxycarbonyl-7-methylhexahydro-1H-pyrrolo[1,2-a]imidazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21N3O2
InChI InChI=1S/C17H21N3O2/c1-17(12-18)10-14(15(21)22-2)20-9-8-19(16(17)20)11-13-6-4-3-5-7-13/h3-7,14,16H,8-11H2,1-2H3/t14-,16+,17+/m1/s1
InChIKey PCDZCZROCACXEL-PVAVHDDUSA-N
Molecular Weight 299.374 g/mol
SMILES [C@]12(N([C@](C[C@]2(C#N)C)(C(=O)OC)[H])CCN1Cc1ccccc1)[H]
SPLASH splash10-0006-5950000000-ca1b9194eac0adc6b7bb
Source of Spectrum KC-1-2066-7
Synonyms (5R,7R,7aS)-1-Benzyl-7-cyano-hexahydro-pyrrolo[1,2-a]imidazole-5-carboxylic acid methyl ester Methyl 1-benzyl-7-cyano-7-methylhexahydro-1H-pyrrolo[1,2-a]imidazole-5-carboxylate
Wiley ID 825819