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1-Benzyl-7-cyano-5-ethoxycarbonyl-5,7-dimethylhexahydro-1H-pyrrolo[1,2-a]imidazole
SpectraBase Compound ID Jj3lvp7lCu6
InChI InChI=1S/C19H25N3O2/c1-4-24-17(23)19(3)13-18(2,14-20)16-21(10-11-22(16)19)12-15-8-6-5-7-9-15/h5-9,16H,4,10-13H2,1-3H3/t16-,18-,19+/m0/s1
InChIKey SMLRAIPRSSCGQD-YTQUADARSA-N
Mol Weight 327.43 g/mol
Molecular Formula C19H25N3O2
Exact Mass 327.194677 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 37KxeFMq9AQ
Name 1-Benzyl-7-cyano-5-ethoxycarbonyl-5,7-dimethylhexahydro-1H-pyrrolo[1,2-a]imidazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H25N3O2
InChI InChI=1S/C19H25N3O2/c1-4-24-17(23)19(3)13-18(2,14-20)16-21(10-11-22(16)19)12-15-8-6-5-7-9-15/h5-9,16H,4,10-13H2,1-3H3/t16-,18-,19+/m0/s1
InChIKey SMLRAIPRSSCGQD-YTQUADARSA-N
Molecular Weight 327.428 g/mol
SMILES [C@]12(N([C@](C[C@]2(C#N)C)(C(=O)OCC)C)CCN1Cc1ccccc1)[H]
SPLASH splash10-03xu-5980000000-fb1d7b4a5a54a3b7a1f9
Source of Spectrum KC-1-2067-7
Synonyms (5R,7R,7aS)-1-Benzyl-7-cyano-5,7-methyl-hexahydro-pyrrolo[1,2-a]imidazole-5-carboxylic acid methyl ester Ethyl 1-benzyl-7-cyano-5,7-dimethylhexahydro-1H-pyrrolo[1,2-a]imidazole-5-carboxylate
Wiley ID 825816