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1-Benzyl-7-cyano-5-ethoxycarbonyl-7-methylhexahydro-1H-pyrrolo[1,2-a]imidazole
SpectraBase Compound ID 1BxOrFjim4Z
InChI InChI=1S/C18H23N3O2/c1-3-23-16(22)15-11-18(2,13-19)17-20(9-10-21(15)17)12-14-7-5-4-6-8-14/h4-8,15,17H,3,9-12H2,1-2H3/t15-,17+,18+/m1/s1
InChIKey FHMRHHIHUHKLRO-NJAFHUGGSA-N
Mol Weight 313.4 g/mol
Molecular Formula C18H23N3O2
Exact Mass 313.179027 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Iz36OcG1yBl
Name 1-Benzyl-7-cyano-5-ethoxycarbonyl-7-methylhexahydro-1H-pyrrolo[1,2-a]imidazole
Alternate Name(s) (5R,7R,7aS)-1-Benzyl-7-cyano-7-methyl-hexahydro-pyrrolo[1,2-a]imidazole-5-carboxylic acid ethyl ester Ethyl 1-benzyl-7-cyano-7-methylhexahydro-1H-pyrrolo[1,2-a]imidazole-5-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H23N3O2
InChI InChI=1S/C18H23N3O2/c1-3-23-16(22)15-11-18(2,13-19)17-20(9-10-21(15)17)12-14-7-5-4-6-8-14/h4-8,15,17H,3,9-12H2,1-2H3/t15-,17+,18+/m1/s1
InChIKey FHMRHHIHUHKLRO-NJAFHUGGSA-N
Molecular Weight 313.401 g/mol
SMILES [C@]12(N([C@](C[C@]2(C#N)C)(C(=O)OCC)[H])CCN1Cc1ccccc1)[H]
SPLASH splash10-052g-6960000000-d67a88ef650ccaa366da
Source of Spectrum KC-1-2066-7
Wiley ID 825818