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3-Bromo-N-propionylcytisine
SpectraBase Compound ID KlHqHlJ2L9m
InChI InChI=1S/C14H17BrN2O2/c1-2-13(18)16-6-9-5-10(8-16)12-4-3-11(15)14(19)17(12)7-9/h3-4,9-10H,2,5-8H2,1H3/t9-,10+/m0/s1
InChIKey JAEQOBUBDJWLQT-VHSXEESVSA-N
Mol Weight 325.21 g/mol
Molecular Formula C14H17BrN2O2
Exact Mass 324.047341 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4xg3HkoMue
Name 3-Bromo-N-propionylcytisine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17BrN2O2
InChI InChI=1S/C14H17BrN2O2/c1-2-13(18)16-6-9-5-10(8-16)12-4-3-11(15)14(19)17(12)7-9/h3-4,9-10H,2,5-8H2,1H3/t9-,10+/m0/s1
InChIKey JAEQOBUBDJWLQT-VHSXEESVSA-N
Literature Reference DOI 10.1002/rcm.4976
Molecular Weight 325.206 g/mol
SMILES C=1C=C2N(C(C1Br)=O)C[C@]1(C[C@@]2(CN(C1)C(=O)CC)[H])[H]
SPLASH splash10-004i-5391000000-f7b9969124571600b997
Source of Spectrum RCM-25-1195-7
Synonyms (1R,5S)-9-bromo-3-propionyl-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Wiley ID 1814813