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1-Benzyl-7-cyano-5-tert-butoxycarbonyl-7-methylhexahydro-1H-pyrrolo[1,2-a]imidazole
SpectraBase Compound ID IyAYILKfQO5
InChI InChI=1S/C20H27N3O2/c1-19(2,3)25-17(24)16-12-20(4,14-21)18-22(10-11-23(16)18)13-15-8-6-5-7-9-15/h5-9,16,18H,10-13H2,1-4H3/t16-,18+,20+/m1/s1
InChIKey WLSDXZYBICSBGE-KPFFTGBYSA-N
Mol Weight 341.46 g/mol
Molecular Formula C20H27N3O2
Exact Mass 341.210327 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4tMTv6ZintA
Name 1-Benzyl-7-cyano-5-tert-butoxycarbonyl-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 tert-butyl ester tert-Butyl 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 C20H27N3O2
InChI InChI=1S/C20H27N3O2/c1-19(2,3)25-17(24)16-12-20(4,14-21)18-22(10-11-23(16)18)13-15-8-6-5-7-9-15/h5-9,16,18H,10-13H2,1-4H3/t16-,18+,20+/m1/s1
InChIKey WLSDXZYBICSBGE-KPFFTGBYSA-N
Molecular Weight 341.455 g/mol
SMILES [C@]12(N([C@](C[C@]2(C#N)C)(C(OC(C)(C)C)=O)[H])CCN1Cc1ccccc1)[H]
SPLASH splash10-01dl-3490000000-8cd3fe62ef9ee9b38329
Source of Spectrum KC-1-2067-7
Wiley ID 825817