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5-Bromo-N-((3aS,4R,6aR)-2-(trichloromethyl)-4,6a-dihydro-3aH-cyclopenta[d]oxazol-4-yl)-1H-pyrrole-2-carboxamide
SpectraBase Compound ID Ge87vL83Dj4
InChI InChI=1S/C12H9BrCl3N3O2/c13-8-4-2-6(17-8)10(20)18-5-1-3-7-9(5)19-11(21-7)12(14,15)16/h1-5,7,9,17H,(H,18,20)/t5-,7-,9+/m1/s1
InChIKey PDJZOGCWKCJPRG-FKBGGTMYSA-N
Mol Weight 413.49 g/mol
Molecular Formula C12H9BrCl3N3O2
Exact Mass 410.894373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GkMa0e6p8d8
Name 5-Bromo-N-((3aS,4R,6aR)-2-(trichloromethyl)-4,6a-dihydro-3aH-cyclopenta[d]oxazol-4-yl)-1H-pyrrole-2-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9BrCl3N3O2
InChI InChI=1S/C12H9BrCl3N3O2/c13-8-4-2-6(17-8)10(20)18-5-1-3-7-9(5)19-11(21-7)12(14,15)16/h1-5,7,9,17H,(H,18,20)/t5-,7-,9+/m1/s1
InChIKey PDJZOGCWKCJPRG-FKBGGTMYSA-N
Literature Reference DOI 10.1021/ol900799e
Molecular Weight 413.486 g/mol
SMILES N([C@@]1(C=C[C@]2(OC(=N[C@@]12[H])C(Cl)(Cl)Cl)[H])[H])C(c1[nH]c(cc1)Br)=O
SPLASH splash10-00di-0940000000-0d8fad896f6fbcb1f10a
Source of Spectrum A1-11-2687/SMS10-15
Wiley ID 1756814