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(+-)-(6aR,8S)-2-Chloro-5,6,6a,7,8,10a-hexahydro-5-methyl-8,10a-epoxypyrimido[5,4-c]isoquinoline
SpectraBase Compound ID I84Xq6RJwz2
InChI InChI=1S/C12H12ClN3O/c1-16-6-7-4-8-2-3-12(7,17-8)10-9(16)5-14-11(13)15-10/h2-3,5,7-8H,4,6H2,1H3/t7-,8-,12?/m1/s1
InChIKey QVOUGWVOEMFOIY-OZQNEODRSA-N
Mol Weight 249.7 g/mol
Molecular Formula C12H12ClN3O
Exact Mass 249.06689 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GCqbnNxYifm
Name (+-)-(6aR,8S)-2-Chloro-5,6,6a,7,8,10a-hexahydro-5-methyl-8,10a-epoxypyrimido[5,4-c]isoquinoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12ClN3O
InChI InChI=1S/C12H12ClN3O/c1-16-6-7-4-8-2-3-12(7,17-8)10-9(16)5-14-11(13)15-10/h2-3,5,7-8H,4,6H2,1H3/t7-,8-,12?/m1/s1
InChIKey QVOUGWVOEMFOIY-OZQNEODRSA-N
Molecular Weight 249.701 g/mol
SMILES C123c4c(cnc(n4)Cl)N(C[C@]1(C[C@](O2)(C=C3)[H])[H])C
SPLASH splash10-0592-0090000000-99829b94cfb9f0e26656
Source of Spectrum F-68-1882-14k
Wiley ID 1707852