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3,5-Dibromo-N-propionylcytisine
SpectraBase Compound ID GYJBmwoQAqW
InChI InChI=1S/C14H16Br2N2O2/c1-2-12(19)17-5-8-3-9(7-17)13-10(15)4-11(16)14(20)18(13)6-8/h4,8-9H,2-3,5-7H2,1H3/t8-,9+/m0/s1
InChIKey ANRDEFBMECSLDU-DTWKUNHWSA-N
Mol Weight 404.1 g/mol
Molecular Formula C14H16Br2N2O2
Exact Mass 401.957854 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EZpGRga237K
Name 3,5-Dibromo-N-propionylcytisine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16Br2N2O2
InChI InChI=1S/C14H16Br2N2O2/c1-2-12(19)17-5-8-3-9(7-17)13-10(15)4-11(16)14(20)18(13)6-8/h4,8-9H,2-3,5-7H2,1H3/t8-,9+/m0/s1
InChIKey ANRDEFBMECSLDU-DTWKUNHWSA-N
Literature Reference DOI 10.1002/rcm.4976
Molecular Weight 404.102 g/mol
SMILES C=1C(=C2N(C(C1Br)=O)C[C@]1(C[C@@]2(CN(C1)C(=O)CC)[H])[H])Br
SPLASH splash10-001i-9101300000-889642d90f760cd4c00c
Source of Spectrum RCM-25-1195-9
Synonyms (1R,5S)-9,11-dibromo-3-propionyl-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Wiley ID 1814815