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1-Benzyl-5-tert-butoxycarbonyl-7-methoxycarbonyl-7-methylhexahydro-1H-pyrrolo[1,2-a]imidazole
SpectraBase Compound ID A6AnpwWx4WY
InChI InChI=1S/C21H30N2O4/c1-20(2,3)27-17(24)16-13-21(4,19(25)26-5)18-22(11-12-23(16)18)14-15-9-7-6-8-10-15/h6-10,16,18H,11-14H2,1-5H3/t16-,18+,21-/m1/s1
InChIKey GBPYSNYFESKCGH-PLMTUMEDSA-N
Mol Weight 374.48 g/mol
Molecular Formula C21H30N2O4
Exact Mass 374.220557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4HgoPKCiKfg
Name 1-Benzyl-5-tert-butoxycarbonyl-7-methoxycarbonyl-7-methylhexahydro-1H-pyrrolo[1,2-a]imidazole
Alternate Name(s) (5R,7R,7aS)-1-Benzyl-7-methyl-hexahydro-pyrrolo[1,2-a]imidazole-5,7-dicarboxylic acid 5-tert-butyl ester 7-methyl ester 5-tert-Butyl 7-methyl 1-benzyl-7-methylhexahydro-1H-pyrrolo[1,2-a]imidazole-5,7-dicarboxylate
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Formula C21H30N2O4
InChI InChI=1S/C21H30N2O4/c1-20(2,3)27-17(24)16-13-21(4,19(25)26-5)18-22(11-12-23(16)18)14-15-9-7-6-8-10-15/h6-10,16,18H,11-14H2,1-5H3/t16-,18+,21-/m1/s1
InChIKey GBPYSNYFESKCGH-PLMTUMEDSA-N
Molecular Weight 374.481 g/mol
SMILES [C@]1([C@@]2(N(CCN2Cc2ccccc2)[C@](C1)(C(OC(C)(C)C)=O)[H])[H])(C(=O)OC)C
SPLASH splash10-016u-3490000000-a6a0daeaa1527726a9ed
Source of Spectrum KC-1-2066-7
Wiley ID 825821