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Di-tert-butyl 5-(1-acetyl-1H-pyrrol-3-yl)-2,3-diazabicyclo[2.2.1]heptane-2,3-dicarboxylate
SpectraBase Compound ID 25u4MwXycTE
InChI InChI=1S/C21H31N3O5/c1-13(25)22-9-8-14(12-22)16-10-15-11-17(16)24(19(27)29-21(5,6)7)23(15)18(26)28-20(2,3)4/h8-9,12,15-17H,10-11H2,1-7H3/t15-,16+,17-/m0/s1
InChIKey JHTPDWJQICVECX-BBWFWOEESA-N
Mol Weight 405.5 g/mol
Molecular Formula C21H31N3O5
Exact Mass 405.226371 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7q7dpGo6dxF
Name Di-tert-butyl 5-(1-acetyl-1H-pyrrol-3-yl)-2,3-diazabicyclo[2.2.1]heptane-2,3-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31N3O5
InChI InChI=1S/C21H31N3O5/c1-13(25)22-9-8-14(12-22)16-10-15-11-17(16)24(19(27)29-21(5,6)7)23(15)18(26)28-20(2,3)4/h8-9,12,15-17H,10-11H2,1-7H3/t15-,16+,17-/m0/s1
InChIKey JHTPDWJQICVECX-BBWFWOEESA-N
Literature Reference DOI 10.1002/adsc.200800587
Molecular Weight 405.495 g/mol
SMILES [C@@]1(c2c[n](cc2)C(=O)C)(C[C@]2(C[C@@]1(N(N2C(OC(C)(C)C)=O)C(OC(C)(C)C)=O)[H])[H])[H]
SPLASH splash10-0a4i-1290000000-a62a897968d1effc4cb3
Source of Spectrum ASC-350-2893/SM11-29d
Synonyms (1S,4S,5R)-di-tert-butyl 5-(1-acetyl-1H-pyrrol-3-yl)-2,3-diazabicyclo[2.2.1]heptane-2,3-dicarboxylate
Wiley ID 1765980